SCHEMBL4727010

SCHEMBL4727010

Cc1cc(CC(=NOCCn2ccc3ccccc32)c2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.44
PPARG P37231 6/20 0.40
PPARA Q07869 5/20 0.40
PPARD Q03181 5/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4727000 0.92 MCL1 (0.43) MCL1PPARGPPARAPPARDHTT
SCHEMBL4727006 0.92 MCL1 (0.43) MCL1PPARGPPARAPPARDHTT
SCHEMBL4729531 0.84 MAPT (0.43) MCL1PPARGPPARAPPARDHSD17B10
SCHEMBL4726337 0.79 PPARG (0.51) MCL1PPARGPPARAPPARDHTT
SCHEMBL4726340 0.79 PPARG (0.51) MCL1PPARGPPARAPPARDHTT
SCHEMBL4726366 0.77 HSD17B10 (0.39) MCL1PPARGPPARAPPARDHTT
SCHEMBL4726370 0.77 HSD17B10 (0.39) MCL1PPARGPPARAPPARDHTT
SCHEMBL4729526 0.76 PLA2G2A (0.43) MCL1PPARGPPARAPPARD
SCHEMBL4729524 0.76 PLA2G2A (0.43) MCL1PPARGPPARAPPARD
SCHEMBL4725597 0.74 PPARD (0.45) PPARGPPARAPPARD

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-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed