SCHEMBL17860327

SCHEMBL17860327

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.73
PLCG1 P19174 4/20 0.66
PLCB3 Q01970 4/20 0.66
PAX8 Q06710 5/20 0.59
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL17860328 0.92 PLCG1 (0.64) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860347 0.92 PLCG1 (0.66) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860314 0.91 PLCG1 (0.62) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860436 0.90 PLCG1 (0.66) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860446 0.89 CASP6 (0.59) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860409 0.89 PAX8 (0.75) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860379 0.89 PLCG1 (0.60) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860364 0.89 PLCG1 (0.67) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860298 0.89 PLCG1 (0.62) CASP6PLCG1PLCB3PAX8MEN1
SCHEMBL17860417 0.89 PLCG1 (0.58) CASP6PLCG1PLCB3PAX8MEN1

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