SCHEMBL6680256

SCHEMBL6680256

CC(C#N)CCC(=O)[O-].[Na+]

nearest known ligand 0.58

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 12)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.58
CA2 known ✓ P00918 3/20 0.41
BBOX1 O75936 2/20 0.47
TSHR P16473 1/20 0.43
FFAR3 O14843 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
NFKB1 P19838 1/20 0.37
FOLH1 Q04609 2/20 0.36

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
SCHEMBL5050237 1.00 CA1 (0.58) CA1BBOX1TSHRCA2FFAR3
SCHEMBL4229227 0.78 MEN1 (0.39) CA1CA2HDAC3HDAC1HDAC2
Water SCHEMBL28240439 0.77 GABRP (0.50) TSHRFFAR3HDAC3HDAC1HDAC2
SCHEMBL7905759 0.77
SCHEMBL35490 0.77
SCHEMBL24083670 0.77
SCHEMBL4448500 0.76
SCHEMBL17389299 0.76
Hydrochloric Acid SCHEMBL7043007 0.76 GABRP (0.48) TSHRFFAR3HDAC3HDAC1HDAC2
SCHEMBL5050240 0.76 GABRP (0.48) TSHRFFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113954398-B Method for preventing corrosion in large-scale waste animal and vegetable oil carbon steel storage tank 江西尊创新能源有限公司 2023-09-19 CN disclosed
CN-112105651-B Method for producing disk-shaped polymer particles 日清纺控股株式会社 2023-03-21 CN disclosed
CN-113954398-A Method for preventing corrosion in large-scale waste animal and vegetable oil carbon steel storage tank 江西尊创新能源有限公司 2022-01-21 CN disclosed
CN-110248631-B Fluid-absorbent article 巴斯夫欧洲公司 2021-12-10 CN disclosed
CN-107261194-B Fluid-absorbent article 巴斯夫欧洲公司 2021-11-30 CN disclosed
CN-112105651-A Method for producing disk-shaped polymer particles 日清纺控股株式会社 2020-12-18 CN disclosed
CN-110325173-A Skin cosmetic 日清纺控股株式会社 2019-10-11 CN disclosed
CN-110248631-A Fluid-absorbent articles 巴斯夫欧洲公司 2019-09-17 CN disclosed
CN-109937030-A Skin cosmetic 日清纺控股株式会社 2019-06-25 CN disclosed
CN-105916527-A A process for producing water-absorbent polymer particles by polymerizing droplets of a monomer solution 巴斯夫欧洲公司 2016-08-31 CN disclosed
US-6641970-B2 Generating free radicals or acids; offset printing AGFA-GEVAERT (BE) 2003-11-04 US disclosed
US-20030082476-A1 Generating free radicals or acids; offset printing AGFA-GEVAERT (BE) 2003-05-01 US disclosed
EP-1267211-A1 UV-sensitive imaging element for making lithographic printing plates Agfa-Gevaert (BE) 2002-12-18 EP disclosed
US-20020072013-A1 Image-wise exposing a non-ablative image-recording layer (hydrophobic polymer particles) which is removable in a single-fluid ink to heat or light, and processing with an emulsion of an ink phase and a non-aqueous polar phase AGFA-GEVAERT (BE) 2002-06-13 US disclosed
EP-1213140-A1 Method of processing a printing plate material with a single-fluid ink Agfa-Gevaert (BE) 2002-06-12 EP disclosed
CN-1051992-C Preparation process of acrylamide MITSUI TOATSU CHEMICALS (JP) 2000-05-03 CN disclosed
CN-1045085-C Water-soluble azo compound and process for producing same OTSUKA KAGAKU KK (JP) 1999-09-15 CN disclosed
CN-1119641-A Water-soluble azo compound and process for producing same OTSUKA KAGAKU KK (JP) 1996-04-03 CN disclosed
CN-1106793-A Preparation process of acrylamide MITSUI TOATSU CHEMICALS (JP) 1995-08-16 CN disclosed
US-4345101-A DISTILLATION, ION EXCHANGING MITSUI TOATSU CHEMICALS, INC. (JP) 1982-08-17 US disclosed