SCHEMBL17860385

SCHEMBL17860385

Cc1ccc(CNc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NC4Cc5ccccc5C4)O[C@H]2CO3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 8/20 0.57
CASP6 P55212 1/20 0.54
PLCG1 P19174 4/20 0.53
PLCB3 Q01970 4/20 0.53
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34

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
SCHEMBL17860302 0.92 PAX8 (0.55) PAX8CASP6PLCG1PLCB3
SCHEMBL17860363 0.89 PAX8 (0.68) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860358 0.87 PAX8 (0.65) PAX8CASP6PLCG1PLCB3MEN1
SCHEMBL17860386 0.86 PAX8 (0.51) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860317 0.85 PAX8 (0.64) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL16980371 0.85 PAX8 (0.62) PAX8CASP6PLCG1PLCB3KDM4E
SCHEMBL17860297 0.85 PAX8 (0.72) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860392 0.85 PAX8 (0.58) PAX8CASP6PLCG1PLCB3RAB9A
SCHEMBL17860390 0.84 PAX8 (0.58) PAX8CASP6PLCG1PLCB3KDM4E
SCHEMBL17860400 0.84 PAX8 (0.56) 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