SCHEMBL17860451

SCHEMBL17860451

CN(Cc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 6/20 0.47
PLCG1 P19174 4/20 0.45
PLCB3 Q01970 4/20 0.45
CASP6 P55212 1/20 0.44
SCN9A Q15858 4/20 0.33
KCNH2 Q12809 3/20 0.33
SCN5A Q14524 2/20 0.33
EPHX2 P34913 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
CCR5 P51681 1/20 0.31
LIPE Q05469 1/20 0.30

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
SCHEMBL17860425 0.92 PAX8 (0.49) PAX8PLCG1PLCB3CASP6
SCHEMBL17860304 0.92 PAX8 (0.49) PAX8PLCG1PLCB3CASP6
SCHEMBL17860438 0.91 PAX8 (0.51) PAX8PLCG1PLCB3CASP6
SCHEMBL17860386 0.90 PAX8 (0.51) PAX8PLCG1PLCB3CASP6
SCHEMBL17860439 0.90 PAX8 (0.55) PAX8PLCG1PLCB3CASP6
SCHEMBL17860513 0.88 PAX8 (0.51) PAX8PLCG1PLCB3CASP6
SCHEMBL17860423 0.88 PAX8 (0.51) PAX8PLCG1PLCB3CASP6
SCHEMBL17860422 0.88 PAX8 (0.49) PAX8PLCG1PLCB3CASP6
SCHEMBL17860357 0.85 PAX8 (0.56) PAX8PLCG1PLCB3CASP6
SCHEMBL17860426 0.83 PAX8 (0.52) PAX8PLCG1PLCB3CASP6

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