SCHEMBL8729657

SCHEMBL8729657

[CH]c1c(CCC)cc(CCC)cc1CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HMGCR P04035 1/20 0.33
PTPN1 P18031 2/20 0.33
PTPN11 Q06124 2/20 0.33
PTGS2 P35354 3/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL11355625 0.77 HTT (0.37) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL11684526 0.77 HPGD (0.37) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL6131303 0.75 GABRA1 (0.37) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL16575401 0.75 HMGCR (0.38) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL18378625 0.75 CNR1 (0.35) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL7299326 0.75 PTPN1 (0.36) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL16575403 0.75 CNR1 (0.35) CNR1CNR2ALOX5CYP3A4ALDH1A1
SCHEMBL1023215 0.75 DHFR (0.45) CNR1CNR2ALOX5CYP3A4HMGCR
SCHEMBL8724867 0.75 CNR1 (0.45) CNR1CNR2ALOX5LPLLIPG
SCHEMBL7700304 0.74 CNR1 (0.46) CNR1CNR2CYP3A4ALDH1A1PTGS2

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