SCHEMBL3887743

SCHEMBL3887743

O=C([O-])CCCc1cc2ccccc2[nH]1.[Na+]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
FLT3 P36888 1/20 0.44
PIN1 Q13526 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
DAO P14920 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29419932 1.00 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Potassium Ion SCHEMBL3895692 0.97 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Potassium Ion SCHEMBL29352501 0.97 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Zinc Ion SCHEMBL30949480 0.97 MTNR1A (0.54) MTNR1AMTNR1BHDAC3HDAC1HDAC2
Zinc Ion SCHEMBL30949479 0.88 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL5696565 0.87 AHR (0.56) KDM4EMAPTALDH1A1MAPK1
SCHEMBL9375185 0.84 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL29353585 0.84 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL28048759 0.84 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2
SCHEMBL143130 0.84 MTNR1A (0.56) MTNR1AMTNR1BHDAC3HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 249 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112292965-B Cotton planting punching device and cotton planting method 塔里木大学 2022-05-06 CN claimed
CN-112292965-A Cotton planting punching device and cotton planting method 塔里木大学 2021-02-02 CN claimed
CN-106922397-B Method for cultivating easily-branched poinsettia 东莞市粮作花卉研究所 2020-09-29 CN claimed
CN-108605786-B Method for making Chinese wolfberry bonsai by old stump branches and hairy roots 宁夏农林科学院枸杞工程技术研究所 2019-11-08 CN claimed
CN-110249929-A A kind of method of Germplasm Resources of Cucumis Melo L fast-propagation 吉林省农业科学院 2019-09-20 CN claimed
CN-110249902-A A kind of perennial grape high-survival rate method for transplanting not influencing Growth status 山东省葡萄研究院 2019-09-20 CN claimed
CN-110012767-A A kind of soft seed pomegranate mound layering method 南阳师范学院 2019-07-16 CN claimed
CN-109907063-A Plant growth regulator composition containing Thidiazuron 李永平 2019-06-21 CN claimed
CN-109892331-A A kind of Nursery stock transplanting live keeping agent 新昌县三品茶业有限公司 2019-06-18 CN claimed
CN-109792918-A A kind of avocado graft seedling growth technology 贵州省亚热带作物研究所 2019-05-24 CN claimed
CN-102246668-A Plant transplant seedling raising pot forming method HENAN HONGYU AGRICULTURAL TECHNOLOGY CO LTD 2011-11-23 CN claimed
CN-102210305-A Preparation for promoting plant to root TIANJIN LVDONG PLANT NUTRITION TECHNOLOGY DEV CO LTD 2011-10-12 CN claimed
CN-102197756-A Industrialized low-consumption production method of maize seedlings HENAN ACADEMY AGRICULTURAL SCI 2011-09-28 CN claimed
CN-102172153-A Method for transplanting crop seedlings cultivated by matrix of soil in factory mode HENAN ACADEMY AGRICULTURAL SCI 2011-09-07 CN claimed
CN-102138447-A Seedling culture method by using interaction of two plant seedlings HENAN ACADEMY AGRICULTURAL SCI 2011-08-03 CN claimed
CN-102037967-A Method for improving Dendrobium officinale hybridization seed setting rate and special treating agent thereof UNIV ZHEJIANG A & F 2011-05-04 CN claimed
CN-101946602-A Method for culturing and transplanting seedling of cassava RES INST OF TROPICAL ECO AGRICULTURAL SCIENCES YUNNAN ACADEMY OF AGRICULTURAL SCIENCES 2011-01-19 CN claimed
CN-101913952-A Polyelement composite fertilizer and preparation method and application thereof ZHONGGANG TAIFU BEIJING HI TECH CO LTD 2010-12-15 CN claimed
CN-1319452-C Efficient water soluble root-inducing powcler for taxus media UNIV SOUTHWEST (CN) 2007-06-06 CN claimed
CN-1775030-A Efficient water soluble root-inducing powcler for taxus media XINAN UNIV (CN) 2006-05-24 CN claimed