SCHEMBL9810485

SCHEMBL9810485

CCCCCCc1ccc(C2(O)CCC(C(=O)OCCCCC)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.43
THRB P10828 5/20 0.43
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
SPHK1 Q9NYA1 6/20 0.41
PPARG P37231 3/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL9810483 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810411 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810521 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810387 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810477 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810336 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810603 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810284 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810515 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4
SCHEMBL9810384 1.00 THRA (0.43) THRATHRBS1PR1S1PR3S1PR4

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