SCHEMBL9810669

SCHEMBL9810669

CCCCOC(=O)C1CCC(O)(c2ccc(CCC)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.36
THRB P10828 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
THRA P10827 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
FKBP1A P62942 1/20 0.35

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
SCHEMBL9810348 0.96 OPRL1 (0.40) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL9810269 0.95 PPARG (0.41) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9810417 0.95 PPARG (0.41) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9810321 0.95 PPARG (0.41) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9810420 0.95 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL9810385 0.94 THRB (0.42) OPRL1ALDH1A1THRBSPHK1THRA
SCHEMBL9810330 0.93 THRB (0.43) OPRL1THRBSPHK1THRA
SCHEMBL9810307 0.93 THRB (0.43) OPRL1THRBSPHK1THRA
SCHEMBL9810482 0.93 THRB (0.43) OPRL1THRBSPHK1THRA
SCHEMBL9810386 0.93 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed