SCHEMBL13069647

SCHEMBL13069647

CC(C)(Oc1cccc(Oc2ccc3c(-c4ccc(OC(F)(F)S)cc4)noc3c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.46
▸ PPARD Q03181 15/20 0.46
▸ PPARA Q07869 15/20 0.46
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FABP1 P07148 1/20 0.38
▸ NR1H4 Q96RI1 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
SCHEMBL3377036 0.92 PPARG (0.47) PPARGPPARDPPARACYP2C9CYP2C19
SCHEMBL3376896 0.90 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL3378784 0.87 PPARA (0.47) PPARGPPARDPPARACYP2C19MEN1
SCHEMBL3379784 0.86 PPARD (0.46) PPARGPPARDPPARACYP2C9CYP2C19
SCHEMBL3410208 0.86 PPARA (0.48) PPARGPPARDPPARAFABP1NR1H4
SCHEMBL3376214 0.86 PPARG (0.51) PPARGPPARDPPARAFABP1NR1H4
SCHEMBL3375295 0.85 PPARA (0.47) PPARGPPARDPPARA
SCHEMBL3376815 0.84 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL13069652 0.83 PPARA (0.48) PPARGPPARDPPARACYP2C9CYP2C19
SCHEMBL13069472 0.82 PPARA (0.53) PPARGPPARDPPARACYP2C19KDM4E

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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