SCHEMBL17860406

SCHEMBL17860406

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.51
PLCG1 P19174 4/20 0.50
PLCB3 Q01970 4/20 0.50
PAX8 Q06710 5/20 0.45
LMNA P02545 1/20 0.36
MCHR1 Q99705 1/20 0.35
MLNR O43193 1/20 0.35
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
HDAC4 P56524 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL17860452 0.92 CASP6 (0.59) CASP6PLCG1PLCB3PAX8MCHR1
SCHEMBL17860328 0.88 PLCG1 (0.64) CASP6PLCG1PLCB3PAX8LMNA
SCHEMBL17860373 0.86 PAX8 (0.52) CASP6PLCG1PLCB3PAX8
SCHEMBL17860327 0.80 CASP6 (0.73) CASP6PLCG1PLCB3PAX8
SCHEMBL17860361 0.79 PLCG1 (0.54) CASP6PLCG1PLCB3PAX8LMNA
SCHEMBL17860329 0.78 CASP6 (0.60) CASP6PLCG1PLCB3PAX8
SCHEMBL17860314 0.78 PLCG1 (0.62) CASP6PLCG1PLCB3PAX8
SCHEMBL17860347 0.77 PLCG1 (0.66) CASP6PLCG1PLCB3PAX8
SCHEMBL17860436 0.77 PLCG1 (0.66) CASP6PLCG1PLCB3PAX8
SCHEMBL17860398 0.77 PLCG1 (0.57) CASP6PLCG1PLCB3PAX8

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