SCHEMBL17860441

SCHEMBL17860441

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.62
PLCB3 Q01970 4/20 0.62
PAX8 Q06710 4/20 0.56
CASP6 P55212 1/20 0.56
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 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
SCHEMBL17860353 0.93 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860440 0.93 PLCG1 (0.62) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860298 0.92 PLCG1 (0.62) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860382 0.91 PLCG1 (0.59) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860472 0.91 PLCG1 (0.59) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860379 0.90 PLCG1 (0.60) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860445 0.90 PLCG1 (0.60) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860384 0.90 PLCG1 (0.59) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860469 0.89 CASP6 (0.61) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860421 0.89 PLCG1 (0.59) 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