SCHEMBL17860399

SCHEMBL17860399

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccccc3)CC[C@@H]21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.65
PLCB3 Q01970 4/20 0.65
CASP6 P55212 1/20 0.57
PAX8 Q06710 8/20 0.57
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KCNA5 P22460 1/20 0.39
NAMPT P43490 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL17860393 0.94 PLCG1 (0.64) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860364 0.93 PLCG1 (0.67) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860407 0.92 PLCG1 (0.61) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860403 0.90 PLCG1 (0.61) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860347 0.90 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860476 0.89 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860472 0.88 PLCG1 (0.59) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860327 0.88 CASP6 (0.73) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860417 0.87 PLCG1 (0.58) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860379 0.86 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1

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