SCHEMBL7875907

SCHEMBL7875907

OCC(Cc1ccc(O)cc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.43
OPRD1 P41143 12/20 0.43
OPRM1 P35372 10/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL7875910 1.00 OPRK1 (0.43) OPRK1OPRD1OPRM1ESR1ESR2
SCHEMBL26451670 0.85 ESR1 (0.39) ESR1ESR2
SCHEMBL7420161 0.78 OPRD1 (0.56) OPRK1OPRD1OPRM1
SCHEMBL7420165 0.78 OPRD1 (0.56) OPRK1OPRD1OPRM1
SCHEMBL24305562 0.74 OPRD1 (0.55) OPRK1OPRD1OPRM1ESR1ESR2
SCHEMBL15577821 0.72 SLC7A5 (0.47) OPRK1OPRD1OPRM1ESR1ESR2
SCHEMBL29257469 0.72 TRPA1 (0.40)
SCHEMBL24565100 0.71 ESR1 (0.44) ESR1ESR2
SCHEMBL983099 0.71 SLC6A2 (0.55) ESR1ESR2
SCHEMBL20425314 0.70 ESR1 (0.55) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941212-B1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES DEGUSSA (DE) 2001-03-21 EP claimed
EP-0941212-A1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES Degussa-Hüls Aktiengesellschaft (DE) 1999-09-15 EP claimed
WO-1998022415-A1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES Degussa-Hüls Aktiengesellschaft (DE) 1998-05-28 WO claimed
EP-0941212-B1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES DEGUSSA (DE) 2001-03-21 EP disclosed
EP-0941212-A1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES Degussa-Hüls Aktiengesellschaft (DE) 1999-09-15 EP disclosed
WO-1998022415-A1 ENANTIOSELECTIVE CATALYTIC REDUCTION OF KETONES Degussa-Hüls Aktiengesellschaft (DE) 1998-05-28 WO disclosed