SCHEMBL8729581

SCHEMBL8729581

[CH]c1c(F)c(F)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
TRPM4 Q8TD43 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2A6 P11509 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 1/20 0.34
NQO2 P16083 1/20 0.34
HPGD P15428 2/20 0.33
CDC25B P30305 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL8729583 1.00 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL30366616 0.79 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL1249585 0.79 HPRT1 (0.45) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL1673423 0.76 ALDH1A1 (0.50) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL14902935 0.74 CYP2A6 (0.45) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL4247740 0.74 PTPN22 (0.45) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29080195 0.74 POLB (0.42) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5609984 0.74 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL31323030 0.74 HPRT1 (0.37) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL8729506 0.73 CYP2A6 (0.50) HPRT1ALDH1A1HSD17B10HIF1ACYP1B1

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