SCHEMBL1979550

SCHEMBL1979550

Oc1ccc(Cc2ccc(O)c3ccccc23)c2ccccc12.Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.76
CYP1A2 P05177 4/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
GAA P10253 4/20 0.56
MAPT P10636 4/20 0.56
TAAR1 Q96RJ0 1/20 0.56
TDP1 Q9NUW8 2/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46

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
SCHEMBL5134884 0.87 CYP1A2 (0.85) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL36762 0.87 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29357214 0.87 HSD17B10 (1.00) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5194597 0.84 HSD17B10 (0.79) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
1-Naphthol SCHEMBL9575454 0.84 CYP1A2 (0.85) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL1397170 0.83 IDO1 (0.65) HSD17B10CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29357437 0.83 IDO1 (0.65) HSD17B10CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23499944 0.82 CYP1A2 (0.75) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29625648 0.82 CYP1A2 (0.75) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL17553393 0.81 HSD17B10 (0.72) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011069846-A1 LOW-VISCOSITY EPOXY RESIN COMPOSITION WITH LOW BLUSHING SIKA TECHNOLOGY AG (CH) 2011-06-16 WO disclosed