SCHEMBL13070053

SCHEMBL13070053

CC(C)(C)Oc1cccc(Oc2ccc3c(-c4ccc(C(F)(F)F)cc4)noc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ EPHX2 P34913 8/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.35
▸ LSS P48449 1/20 0.35

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
SCHEMBL3376896 0.88 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL3374136 0.82 PPARG (0.49) RAB9APPARGPPARDPPARANPC1
SCHEMBL3376824 0.81 PPARG (0.42) RAB9AEPHX2PPARGPPARDPPARA
SCHEMBL3376815 0.80 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL3376160 0.80 PPARG (0.52) RAB9APPARGPPARDPPARANPC1
SCHEMBL3375295 0.79 PPARA (0.47) EPHX2PPARGPPARDPPARA
SCHEMBL3377036 0.79 PPARG (0.47) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL13069647 0.77 PPARG (0.46) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL3378784 0.75 PPARA (0.47) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL3410208 0.74 PPARA (0.48) PPARGPPARDPPARANR1H4

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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