SCHEMBL9458201

SCHEMBL9458201

OC1(c2cc(Sc3ccc4ccccc4c3)cc(C(F)(F)F)c2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.43
OPRM1 P35372 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 7/20 0.33
SYK P43405 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL9458357 0.84 ALOX5 (0.41) ALOX5SMN1; SMN2
SCHEMBL9380828 0.83 ALOX5 (0.47) ALOX5
SCHEMBL9458188 0.81 ALOX5 (0.42) OPRL1ALOX5
SCHEMBL9458313 0.79 OPRL1 (0.43) OPRL1ALOX5SLC6A2SLC6A4
SCHEMBL9458108 0.78 ALOX5 (0.34) OPRL1OPRM1MAPTKDM4EALDH1A1
SCHEMBL9458637 0.78 ALOX5 (0.32) OPRL1ALOX5SYKSMN1; SMN2
SCHEMBL9458418 0.77 MAP3K12 (0.35) OPRL1OPRM1ALDH1A1SYKNPC1
SCHEMBL9221998 0.71 OPRL1 (0.35) OPRL1OPRM1ALOX5SYKOPRD1
SCHEMBL9224526 0.71 ALOX5 (0.47) ALOX5
SCHEMBL9458604 0.70 CYP2A6 (0.40) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US disclosed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP disclosed