SCHEMBL16504646

SCHEMBL16504646

O=C([O-])c1ccccc1CCO.[Na+]

nearest known ligand 0.50

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
CA2 known ✓ P00918 1/20 0.40
CA4 known ✓ P22748 1/20 0.40
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
FOLH1 Q04609 1/20 0.44
PTPN1 P18031 2/20 0.44
LMNA P02545 2/20 0.39
ADRB2 P07550 1/20 0.38
CYP2C19 P33261 2/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 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
SCHEMBL8768468 0.83 HPGD (0.54) ALDH1A1HPGDKDM4EFOLH1CA2
Potassium Ion SCHEMBL8054009 0.83 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EFOLH1PTPN1
SCHEMBL4465576 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EFOLH1CA2
Potassium Ion SCHEMBL472981 0.82 KDM4E (0.40) ALDH1A1HPGDKDM4EFOLH1CA2
SCHEMBL7618622 0.81 FOLH1 (0.48) ALDH1A1HPGDKDM4EFOLH1PTPN1
SCHEMBL28227654 0.81 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EFOLH1LMNA
Phthalic Acid SCHEMBL30103955 0.81 KDM4E (0.60) ALDH1A1HPGDKDM4ECA2CA4
SCHEMBL5954774 0.79 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EFOLH1LMNA
SCHEMBL8878978 0.79 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EFOLH1CA2
SCHEMBL8877744 0.79 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EFOLH1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179892-A1 COMPOSITE AND LAMINATE ARTICLES AND POLYMERIZABLE SYSTEMS FOR PRODUCING THE SAME SIRRUS INC (US) 2021-06-17 US disclosed
EP-3153530-B1 COMPOSITE AND LAMINATE ARTICLES AND POLYMERIZABLE SYSTEMS FOR PRODUCING THE SAME SIRRUS INC (US) 2021-02-24 EP disclosed
US-10913875-B2 Composite and laminate articles and polymerizable systems for producing the same SIRRUS, INC. (US) 2021-02-09 US disclosed
EP-3153530-A1 COMPOSITE AND LAMINATE ARTICLES AND POLYMERIZABLE SYSTEMS FOR PRODUCING THE SAME Sirrus, Inc. (US) 2017-04-12 EP disclosed
EP-2831124-B1 COMPOSITE AND LAMINATE ARTICLES AND POLYMERIZABLE SYSTEMS FOR PRODUCING THE SAME SIRRUS INC (US) 2016-10-05 EP disclosed
US-20150056879-A1 COMPOSITE AND LAMINATE ARTICLES AND POLYMERIZABLE SYSTEMS FOR PRODUCING THE SAME NIPPON SHOKUBAI CO., LTD. (JP) 2015-02-26 US disclosed