SCHEMBL13069486

SCHEMBL13069486

CCC(Cc1cccc(Oc2ccc3c(-c4ccc(Cl)cc4)noc3c2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 12/20 0.47
▸ PPARG P37231 9/20 0.47
▸ PPARD Q03181 5/20 0.42
▸ FAAH O00519 4/20 0.40
▸ CDH1 P12830 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ TCF7L2 Q9NQB0 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PLA2G10 O15496 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL3378337 0.84 PPARG (0.47) PPARAPPARGCDH1CTNNB1TCF7L2
SCHEMBL10663764 0.78 SMN1; SMN2 (0.45) PPARAPPARGPPARD
SCHEMBL3378784 0.76 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL10659695 0.75 PPARG (0.46) PPARAPPARG
SCHEMBL10658226 0.73 AR (0.53) —
SCHEMBL13069472 0.73 PPARA (0.53) PPARAPPARGPPARDCDH1CTNNB1
SCHEMBL3376160 0.73 PPARG (0.52) PPARAPPARGPPARD
SCHEMBL10658222 0.72 ESR1 (0.41) PPARAPPARGPPARDCDH1CTNNB1
SCHEMBL10663175 0.72 MAP4K4 (0.50) PPARAPPARGPPARD
SCHEMBL10660557 0.72 ALDH2 (0.50) PPARGEPHX2

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-1796665-B1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK SHARP & DOHME (US) 2010-11-17 — — EP disclosed
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