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SCHEMBL17860414

SCHEMBL17860414

CO[C@@H](C)C(=O)NC[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C)O1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 4/20 0.57
▸ PLCB3 Q01970 4/20 0.57
▸ CASP6 P55212 1/20 0.53
▸ PAX8 Q06710 13/20 0.50
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL17860354 1.00 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860343 0.90 PLCG1 (0.54) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860382 0.89 PLCG1 (0.59) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860298 0.89 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860341 0.88 PLCG1 (0.56) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860445 0.88 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860379 0.88 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860281 0.87 PLCG1 (0.58) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860440 0.87 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860441 0.87 PLCG1 (0.62) 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