SCHEMBL9810348

SCHEMBL9810348

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
PPARG P37231 3/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR5 Q9H228 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
S1PR1 P21453 3/20 0.36
SPHK1 Q9NYA1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
S1PR3 Q99500 2/20 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
SCHEMBL9810269 0.99 PPARG (0.41) OPRL1OPRM1OPRD1OPRK1PPARG
SCHEMBL9810417 0.99 PPARG (0.41) OPRL1OPRM1OPRD1OPRK1PPARG
SCHEMBL9810321 0.99 PPARG (0.41) OPRL1OPRM1OPRD1OPRK1PPARG
SCHEMBL9810669 0.96 OPRL1 (0.41) OPRL1OPRM1OPRD1OPRK1THRA
SCHEMBL9810460 0.95 THRA (0.42) OPRL1PPARGTHRATHRBS1PR5
SCHEMBL9810615 0.95 OPRL1 (0.44) OPRL1PPARGTHRATHRBS1PR5
SCHEMBL9810279 0.94 OPRL1 (0.43) OPRL1PPARGTHRATHRBS1PR5
SCHEMBL9810515 0.94 THRA (0.43) OPRL1PPARGTHRATHRBS1PR5
SCHEMBL9810284 0.94 THRA (0.43) OPRL1PPARGTHRATHRBS1PR5
SCHEMBL9810336 0.94 THRA (0.43) OPRL1PPARGTHRATHRBS1PR5

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