SCHEMBL6575710

SCHEMBL6575710

COC(Cc1ccc(OCCCOc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.62
PPARD Q03181 8/20 0.62
PPARA Q07869 8/20 0.62
SMO Q99835 4/20 0.56
ITGB1 P05556 2/20 0.48
ITGA4 P13612 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
GRM4 Q14833 1/20 0.45

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
SCHEMBL5385663 1.00 PPARG (0.62) PPARGPPARDPPARASMOITGB1
SCHEMBL5385907 0.88 PPARG (0.62) PPARGPPARDPPARARAB9ANPC1
SCHEMBL5390406 0.84 PPARG (0.77) PPARGPPARDPPARAITGB1ITGB3
SCHEMBL6529018 0.83 PPARG (0.62) PPARGPPARDPPARARAB9ANPC1
SCHEMBL5395118 0.83 PPARG (0.62) PPARGPPARDPPARARAB9ANPC1
SCHEMBL5385227 0.81 PPARG (0.65) PPARGPPARDPPARARAB9ANPC1
SCHEMBL5385455 0.81 PPARG (0.67) PPARGPPARDPPARAITGB3RAB9A
SCHEMBL5375774 0.81 PPARG (0.92) PPARGPPARDPPARA
SCHEMBL5389303 0.80 PPARG (0.76) PPARGPPARDPPARA
SCHEMBL5383883 0.80 PPARA (0.84) PPARGPPARDPPARAITGB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed