SCHEMBL9810321

SCHEMBL9810321

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
OPRL1 P41146 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
S1PR5 Q9H228 7/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
S1PR1 P21453 8/20 0.37
S1PR3 Q99500 7/20 0.37
S1PR4 O95977 2/20 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
SCHEMBL9810417 1.00 PPARG (0.41) PPARGOPRL1OPRM1OPRD1OPRK1
SCHEMBL9810269 1.00 PPARG (0.41) PPARGOPRL1OPRM1OPRD1OPRK1
SCHEMBL9810348 0.99 OPRL1 (0.40) PPARGOPRL1OPRM1OPRD1OPRK1
SCHEMBL9810387 0.95 THRA (0.43) PPARGOPRL1THRATHRBS1PR5
SCHEMBL9810279 0.95 OPRL1 (0.43) PPARGOPRL1THRATHRBS1PR5
SCHEMBL9810336 0.95 THRA (0.43) PPARGOPRL1THRATHRBS1PR5
SCHEMBL9810477 0.95 THRA (0.43) PPARGOPRL1THRATHRBS1PR5
SCHEMBL9810485 0.95 THRA (0.43) PPARGOPRL1THRATHRBS1PR5
SCHEMBL9810483 0.95 THRA (0.43) PPARGOPRL1THRATHRBS1PR5
SCHEMBL9810284 0.95 THRA (0.43) PPARGOPRL1THRATHRBS1PR5

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