SCHEMBL17860450

SCHEMBL17860450

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CNC(=O)[C@@H]3CCCO3)CC[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 4/20 0.56
▸ PLCB3 Q01970 4/20 0.56
▸ CASP6 P55212 1/20 0.54
▸ PAX8 Q06710 3/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL17860420 1.00 PLCG1 (0.56) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860469 0.90 CASP6 (0.61) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860421 0.89 PLCG1 (0.59) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860298 0.88 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860379 0.87 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860445 0.87 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860427 0.87 PLCG1 (0.56) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860441 0.86 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860353 0.86 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860440 0.86 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
Send feedback