SCHEMBL3370887

SCHEMBL3370887

Cc1ccc(-c2nc(CI)c(C)o2)cc1.Cc1ccc(-c2nc(COCC(C)(C)COCc3cccc(C)c3C(=O)O)c(C)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.41
PPARG P37231 11/20 0.41
CYP2C9 P11712 5/20 0.41
KCNH2 Q12809 5/20 0.41
TP53 P04637 3/20 0.40
PPARD Q03181 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3292836 0.95 PPARA (0.43) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3430359 0.93 PPARG (0.41) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3370847 0.89 PPARG (0.45) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3371224 0.89 PPARG (0.43) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3297768 0.88 PPARG (0.43) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3373510 0.87 KDM4E (0.49) TP53PPARDMAPTKDM4E
SCHEMBL3317048 0.84 PPARG (0.48) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3298881 0.84 PPARG (0.46) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3424581 0.82 PPARA (0.43) PPARAPPARGCYP2C9KCNH2TP53
SCHEMBL3426842 0.82 PPARA (0.43) PPARAPPARGCYP2C9KCNH2TP53

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
EP-1902039-B1 6-OXAZOL-4-YLMETHOXY-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PPAR LIGANDS, METHODS FOR PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed