SCHEMBL17860378

SCHEMBL17860378

CN(Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CNC(=O)C3Cc4ccccc4C3)O[C@H]1CO2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.45
▸ PLCG1 P19174 4/20 0.42
▸ PLCB3 Q01970 4/20 0.42
▸ PAX8 Q06710 13/20 0.40
▸ TP53 P04637 1/20 0.36

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
SCHEMBL17860304 0.87 PAX8 (0.49) CASP6PLCG1PLCB3PAX8
SCHEMBL17860473 0.87 CASP6 (0.51) CASP6PLCG1PLCB3PAX8TP53
SCHEMBL17860316 0.85 PLCG1 (0.56) CASP6PLCG1PLCB3PAX8TP53
SCHEMBL17860438 0.79 PAX8 (0.51) CASP6PLCG1PLCB3PAX8
SCHEMBL17860451 0.79 PAX8 (0.47) CASP6PLCG1PLCB3PAX8
SCHEMBL17860386 0.78 PAX8 (0.51) CASP6PLCG1PLCB3PAX8TP53
SCHEMBL17860425 0.78 PAX8 (0.49) CASP6PLCG1PLCB3PAX8
SCHEMBL17860439 0.78 PAX8 (0.55) CASP6PLCG1PLCB3PAX8TP53
SCHEMBL17860423 0.78 PAX8 (0.51) CASP6PLCG1PLCB3PAX8
SCHEMBL17860513 0.77 PAX8 (0.51) CASP6PLCG1PLCB3PAX8

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
WO-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 — — WO disclosed
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