SCHEMBL17860520

SCHEMBL17860520

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3(C)COC3)CC[C@@H]21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.55
PLCB3 Q01970 4/20 0.55
CASP6 P55212 1/20 0.55
PAX8 Q06710 2/20 0.53
BACE1 P56817 13/20 0.43
BACE2 Q9Y5Z0 9/20 0.43
APP P05067 1/20 0.39

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 0.92 PLCG1 (0.63) PLCG1PLCB3CASP6PAX8
SCHEMBL17860467 0.88 PAX8 (0.68) PLCG1PLCB3CASP6PAX8BACE1
SCHEMBL17860519 0.86 PAX8 (0.60) PLCG1PLCB3CASP6PAX8BACE1
SCHEMBL17860404 0.83 PLCG1 (0.61) PLCG1PLCB3CASP6PAX8
SCHEMBL17860436 0.81 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8
SCHEMBL17860327 0.80 CASP6 (0.73) PLCG1PLCB3CASP6PAX8
SCHEMBL17860347 0.80 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8
SCHEMBL17860435 0.79 PAX8 (0.67) PLCG1PLCB3CASP6PAX8
SCHEMBL17860409 0.79 PAX8 (0.75) PLCG1PLCB3CASP6PAX8
SCHEMBL17860314 0.79 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8

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