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SCHEMBL17860404

SCHEMBL17860404

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3(C)Cc4ccccc4C3)CC[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 4/20 0.61
▸ PLCB3 Q01970 4/20 0.61
▸ PAX8 Q06710 13/20 0.59
▸ CASP6 P55212 1/20 0.55
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ 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
SCHEMBL17860418 0.91 PLCG1 (0.63) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860347 0.89 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL16984262 0.88 PAX8 (0.65) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL16980367 0.88 PAX8 (0.65) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860468 0.88 PAX8 (0.65) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860515 0.87 PLCG1 (0.59) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860471 0.87 PLCG1 (0.59) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860518 0.87 PLCG1 (0.61) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860327 0.86 CASP6 (0.73) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860364 0.86 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