SCHEMBL17860452

SCHEMBL17860452

CN(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.59
PLCG1 P19174 4/20 0.50
PLCB3 Q01970 4/20 0.50
PAX8 Q06710 7/20 0.45
MLNR O43193 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
MCHR1 Q99705 1/20 0.33
HCRTR2 O43614 1/20 0.32

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
SCHEMBL17860406 0.92 CASP6 (0.51) CASP6PLCG1PLCB3PAX8MLNR
SCHEMBL17860373 0.87 PAX8 (0.52) CASP6PLCG1PLCB3PAX8
SCHEMBL17860327 0.87 CASP6 (0.73) CASP6PLCG1PLCB3PAX8
SCHEMBL17860328 0.79 PLCG1 (0.64) CASP6PLCG1PLCB3PAX8
SCHEMBL17860347 0.79 PLCG1 (0.66) CASP6PLCG1PLCB3PAX8
SCHEMBL17860314 0.78 PLCG1 (0.62) CASP6PLCG1PLCB3PAX8
SCHEMBL17860436 0.77 PLCG1 (0.66) CASP6PLCG1PLCB3PAX8
SCHEMBL17860398 0.77 PLCG1 (0.57) CASP6PLCG1PLCB3PAX8
SCHEMBL17860446 0.77 CASP6 (0.59) CASP6PLCG1PLCB3PAX8
SCHEMBL17860377 0.77 PLCG1 (0.57) 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