SCHEMBL4727006

SCHEMBL4727006

Cc1cc(C(Cc2ccccc2)=NOCCn2ccc3ccccc32)ccc1OCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.43
HSD17B10 Q99714 1/20 0.41
PPARG P37231 7/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 5/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 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 1.00 MCL1 (0.43) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4727010 0.92 MCL1 (0.44) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4726366 0.85 HSD17B10 (0.39) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4726370 0.85 HSD17B10 (0.39) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4729526 0.85 PLA2G2A (0.43) MCL1PPARGPPARAPPARDFFAR1
SCHEMBL4729524 0.85 PLA2G2A (0.43) MCL1PPARGPPARAPPARDFFAR1
SCHEMBL4726340 0.81 PPARG (0.51) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4726337 0.81 PPARG (0.51) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4729531 0.76 MAPT (0.43) MCL1HSD17B10PPARGPPARAPPARD
SCHEMBL4725558 0.75 TSHR (0.39) MCL1PPARGPPARAPPARDTSHR

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