SCHEMBL17860425

SCHEMBL17860425

COc1ccc(CN(C)c2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4Cc5ccccc5C4)O[C@H]2CO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 4/20 0.49
CASP6 P55212 1/20 0.46
PLCG1 P19174 4/20 0.46
PLCB3 Q01970 4/20 0.46
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
MTNR1A P48039 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL17860386 0.93 PAX8 (0.51) PAX8CASP6PLCG1PLCB3ALDH1A1
SCHEMBL17860451 0.92 PAX8 (0.47) PAX8CASP6PLCG1PLCB3
SCHEMBL17860439 0.92 PAX8 (0.55) PAX8CASP6PLCG1PLCB3LMNA
SCHEMBL17860438 0.92 PAX8 (0.51) PAX8CASP6PLCG1PLCB3
SCHEMBL17860513 0.91 PAX8 (0.51) PAX8CASP6PLCG1PLCB3ALDH1A1
SCHEMBL17860423 0.91 PAX8 (0.51) PAX8CASP6PLCG1PLCB3ALDH1A1
SCHEMBL17860304 0.90 PAX8 (0.49) PAX8CASP6PLCG1PLCB3
SCHEMBL17860422 0.90 PAX8 (0.49) PAX8CASP6PLCG1PLCB3MCHR1
SCHEMBL17860357 0.87 PAX8 (0.56) PAX8CASP6PLCG1PLCB3LMNA
SCHEMBL17860426 0.86 PAX8 (0.52) PAX8CASP6PLCG1PLCB3KDM4E

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