SCHEMBL6510871

SCHEMBL6510871

COC(=O)C(Cc1cccc(O)c1)C(C)=NOCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.51
PPARA Q07869 11/20 0.51
NLRP3 Q96P20 1/20 0.41
CA12 O43570 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
S1PR1 P21453 1/20 0.39
MAOB P27338 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 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
SCHEMBL6511136 0.90 PPARG (0.59) PPARGPPARA
SCHEMBL6511131 0.90 PPARG (0.59) PPARGPPARA
SCHEMBL6506105 0.88 PPARG (0.46) PPARGPPARACA12CA7CA9
SCHEMBL6507734 0.85 PPARG (0.43) PPARGPPARAMAOB
SCHEMBL6504116 0.82 MIF (0.50) PPARGPPARA
SCHEMBL6504111 0.82 MIF (0.50) PPARGPPARA
SCHEMBL6384666 0.78 NLRP3 (0.51) PPARGPPARANLRP3
SCHEMBL6533647 0.77 MIF (0.41) PPARGPPARAS1PR1MAOBNOS3
SCHEMBL2564195 0.77 NLRP3 (0.48) PPARGPPARANLRP3
SCHEMBL6505172 0.77 ESR1 (0.47) PPARGPPARANLRP3S1PR1

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed