SCHEMBL9810262

SCHEMBL9810262

CCCc1ccc(C2(O)CCC(C(=O)OC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
SLC6A3 Q01959 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
PLK1 P53350 1/20 0.38
ACACB O00763 1/20 0.38
RORC P51449 1/20 0.37

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
SCHEMBL9810484 0.92 THRA (0.49) OPRL1OPRM1OPRD1OPRK1THRA
SCHEMBL9810674 0.91 THRA (0.54) OPRL1THRATHRBSLC6A3ALDH1A1
SCHEMBL9810264 0.90 THRA (0.55) OPRL1THRATHRB
SCHEMBL9810306 0.90 THRA (0.55) OPRL1THRATHRB
SCHEMBL9810418 0.90 THRA (0.55) OPRL1THRATHRB
SCHEMBL9810441 0.89 ALDH1A1 (0.46) OPRL1OPRM1OPRD1OPRK1SLC6A3
SCHEMBL9810389 0.88 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9810386 0.87 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9810669 0.85 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1THRA
SCHEMBL9798019 0.85 OPRL1 (0.50) OPRL1OPRM1OPRD1OPRK1ALDH1A1

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