SCHEMBL7651106

SCHEMBL7651106

OC=CCc1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL24261209 0.82 ENPP2 (0.55) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL16167023 0.82 ENPP2 (0.55) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL16414237 0.79 CCNB2 (0.50) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL16414236 0.79 CCNB2 (0.50) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL350297 0.78 ENPP2 (0.56) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL28616691 0.78 IDO1 (0.50) TAAR1CA2
SCHEMBL27806836 0.78 ENPP2 (0.50) ENPP2CYP3A4NFKB1ALDH1A1CA2
SCHEMBL27784818 0.78 HTR3E (0.52) TAAR1CYP3A4LMNAALDH1A1
SCHEMBL3714059 0.78 ENPP2 (0.50) ENPP2DRD2DRD1TAAR1CYP3A4
SCHEMBL3506161 0.77 ENPP2 (0.54) ENPP2DRD2DRD1TAAR1CYP3A4

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
CN-103058828-A Synthetic method of 3,5-dyhydroxy alkylbenzene protected through alkyl group UNIV ZHEJIANG TECHNOLOGY 2013-04-24 CN disclosed
CN-103058828-A Synthetic method of 3,5-dyhydroxy alkylbenzene protected through alkyl group UNIV ZHEJIANG TECHNOLOGY 2013-04-24 CN disclosed
US-6451957-B1 (Hydroxyalkyl)phenols, method for their preparation, and uses thereof GENERAL ELECTRIC COMPANY 2002-09-17 US disclosed
WO-2001046103-A1 (HYDROXYALKYL)PHENOLS, METHOD FOR THEIR PREPARATION, AND USES THEREOF GENERAL ELECTRIC COMPANY (US) 2001-06-28 WO disclosed
EP-0102314-A2 Separation of resorcinol from non-extractable impurities THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-03-07 EP disclosed
US-4420376-A Separation of resorcinol from non-extractable impurities THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-12-13 US disclosed