SCHEMBL17860418

SCHEMBL17860418

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3(C)COC3)CC[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.63
PLCB3 Q01970 4/20 0.63
PAX8 Q06710 5/20 0.59
CASP6 P55212 1/20 0.57
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAF1 P04049 3/20 0.36
BRAF P15056 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 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
SCHEMBL17860520 0.92 PLCG1 (0.55) PLCG1PLCB3PAX8CASP6
SCHEMBL17860404 0.91 PLCG1 (0.61) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860436 0.89 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860327 0.88 CASP6 (0.73) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860347 0.88 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860435 0.87 PAX8 (0.67) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860409 0.87 PAX8 (0.75) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860328 0.87 PLCG1 (0.64) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860314 0.86 PLCG1 (0.62) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860364 0.85 PLCG1 (0.67) PLCG1PLCB3PAX8CASP6MEN1

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