SCHEMBL17860343

SCHEMBL17860343

CO[C@H](C(=O)NC[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3C(=O)N2C)O1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 4/20 0.54
▸ PLCB3 Q01970 4/20 0.54
▸ CASP6 P55212 1/20 0.52
▸ PAX8 Q06710 10/20 0.49
▸ MTTP P55157 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 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 0.90 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860414 0.90 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860379 0.89 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860447 0.86 PLCG1 (0.56) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860472 0.86 PLCG1 (0.59) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860298 0.86 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860479 0.86 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860474 0.86 PLCG1 (0.57) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860382 0.85 PLCG1 (0.59) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860445 0.85 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
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