SCHEMBL8728542

SCHEMBL8728542

[NH]OC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.42
HPGD P15428 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
KIF11 P52732 2/20 0.38
ACP3 P15309 1/20 0.37
ALDH1A1 P00352 7/20 0.34
TSHR P16473 4/20 0.34
CYP2A6 P11509 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ATM Q13315 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL431857 0.85 HSD17B10 (0.41) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL15067859 0.81 HSD17B10 (0.39) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL3389397 0.81 HSD17B10 (0.42) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL13427886 0.75 KIF11 (0.43) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL8726222 0.75 KIF11 (0.44) CYP1A2CYP2C19CYP2C9KIF11ALDH1A1
SCHEMBL5881675 0.75 HSD17B10 (0.46) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL28108200 0.74 ACP3 (0.46) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL5012463 0.74 ACP3 (0.46) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL7028514 0.72 KIF11 (0.45) HSD17B10HPGDCYP1A2CYP2C19CYP2D6
SCHEMBL2187746 0.72 HSD17B10 (0.43) HSD17B10HPGDCYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed