SCHEMBL20064062

SCHEMBL20064062

C=CCc1cc(O[C@H]2C[C@H](C(=O)O)C2)c2ncsc2c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL20064396 0.89 NPC1 (0.33) PPARAKDM4E
SCHEMBL21222362 0.79 IDO1 (0.32)
SCHEMBL21222361 0.79 IDO1 (0.32)
SCHEMBL20064291 0.77 LMNA (0.43)
SCHEMBL21222386 0.74 MKNK1 (0.34)
SCHEMBL20063982 0.74 MKNK1 (0.34)
SCHEMBL20065543 0.74
SCHEMBL20065481 0.71
SCHEMBL20064420 0.71 PPARA (0.57) PPARAKDM4E
SCHEMBL20064061 0.70 PDE4A (0.35) PPARAKDM4E

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed