SCHEMBL17860478

SCHEMBL17860478

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)cnc2OC[C@@H]2O[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.45
PLCB3 Q01970 4/20 0.45
CASP6 P55212 1/20 0.41
PAX8 Q06710 2/20 0.40
RAF1 P04049 5/20 0.38
BRAF P15056 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALPL P05186 3/20 0.35

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
SCHEMBL17860281 0.89 PLCG1 (0.58) PLCG1PLCB3CASP6PAX8RAF1
SCHEMBL17860437 0.81 PAX8 (0.53) PLCG1PLCB3CASP6PAX8SMN1; SMN2
SCHEMBL17860351 0.80 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8HTR2A
SCHEMBL17860445 0.79 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8HTR2A
SCHEMBL17860384 0.79 PLCG1 (0.59) PLCG1PLCB3CASP6PAX8HTR2A
SCHEMBL17860298 0.79 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8HTR2A
SCHEMBL17860341 0.78 PLCG1 (0.56) PLCG1PLCB3CASP6PAX8HTR2A
SCHEMBL17860447 0.78 PLCG1 (0.56) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860440 0.78 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8HTR2A
SCHEMBL17860469 0.78 CASP6 (0.61) PLCG1PLCB3CASP6PAX8HTR2A

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