SCHEMBL13069923

SCHEMBL13069923

CC(Oc1cccc(Oc2ccc3c(-c4cccc(C(F)(F)F)c4)noc3c2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.49
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PPARD Q03181 3/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ IP6K3 Q96PC2 1/20 0.38
▸ IP6K2 Q9UHH9 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL3374136 0.91 PPARG (0.49) PPARGALDH1A1HPGDPPARDPPARA
SCHEMBL3375295 0.85 PPARA (0.47) PPARGPPARDPPARAIP6K1IP6K3
SCHEMBL3376824 0.83 PPARG (0.42) PPARGPPARDPPARAEPHX2
SCHEMBL3376160 0.80 PPARG (0.52) PPARGPPARDPPARA
SCHEMBL10976323 0.77 PPARG (0.52) PPARGALDH1A1PPARAPTGDR2CYP1A2
SCHEMBL3376896 0.76 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL6550208 0.74 PPARG (0.59) PPARGALDH1A1PPARAPTGDR2CYP1A2
SCHEMBL13070053 0.73 RAB9A (0.42) PPARGHPGDPPARDPPARAKDM4E
SCHEMBL3376959 0.71 PPARG (0.46) PPARGPPARDPPARAPTGDR2
SCHEMBL3377036 0.71 PPARG (0.47) PPARGALDH1A1PPARDPPARACYP2C19

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
Send feedback