SCHEMBL6532334

SCHEMBL6532334

CON=C(C)C(Cc1ccc(OC(c2ccc(CC(C)C)cc2)c2cn[nH]c2)cc1)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
PTGS2 P35354 3/20 0.34
ACACB O00763 2/20 0.34
PPARD Q03181 3/20 0.33
FAAH O00519 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 1/20 0.32
PTPRB P23467 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL6532514 0.94 CXCR1 (0.34) PPARGPPARACXCR1CXCR2PTGS2
SCHEMBL6532684 0.89 PPARG (0.38) PPARGPPARAACACBPPARD
SCHEMBL6532383 0.88 PPARG (0.40) PPARGPPARAACACB
SCHEMBL6533257 0.88 ROCK2 (0.34) PPARGPPARAPTGS2
SCHEMBL6530351 0.85 PTGS2 (0.38) PPARGPPARACXCR1CXCR2PTGS2
SCHEMBL6534035 0.85 ACACB (0.38) PPARGPPARAACACB
SCHEMBL6533886 0.85 PPARG (0.36) PPARGPPARAACACBPPARDESR1
SCHEMBL6532243 0.84 MME (0.36) PPARGPPARA
SCHEMBL6532102 0.82 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL6532377 0.82 PPARG (0.39) 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 2 patents. 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 claimed
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