SCHEMBL17860328

SCHEMBL17860328

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.64
PLCB3 Q01970 4/20 0.64
CASP6 P55212 1/20 0.62
PAX8 Q06710 4/20 0.58
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 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
SCHEMBL17860327 0.92 CASP6 (0.73) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860361 0.91 PLCG1 (0.54) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860314 0.90 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860347 0.89 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860436 0.89 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860409 0.88 PAX8 (0.75) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860406 0.88 CASP6 (0.51) PLCG1PLCB3CASP6PAX8LMNA
SCHEMBL17860298 0.88 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860353 0.87 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860518 0.87 PLCG1 (0.61) 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