SCHEMBL5186643

SCHEMBL5186643

CCOC(=O)C(C)(C)Oc1ccc(CCC(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 18/20 0.54
▸ FFAR1 O14842 10/20 0.53
▸ FBP1 P09467 1/20 0.52
▸ FFAR2 O15552 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL5186715 0.86 FBP1 (0.53) FBP1PPARGPPARA
SCHEMBL6743475 0.86 FBP1 (0.53) FFAR4FFAR1FBP1PPARGPPARA
SCHEMBL22005942 0.85 FBP1 (0.57) FBP1PPARGPPARA
SCHEMBL4681712 0.84 FBP1 (0.56) FBP1PPARGPPARA
SCHEMBL5186522 0.84 FBP1 (0.51) FFAR4FFAR1FBP1PPARGPPARA
SCHEMBL21188309 0.84 FBP1 (0.54) FFAR4FBP1PPARGPPARA
SCHEMBL1549215 0.83 FBP1 (0.55) FBP1PPARGPPARA
SCHEMBL27350601 0.83 FFAR4 (0.45) FFAR4FFAR1FBP1PPARGPPARA
SCHEMBL4681849 0.83 FBP1 (0.55) FBP1PPARGPPARA
Acetic Acid SCHEMBL4693562 0.82 FBP1 (0.52) FBP1PPARGPPARA

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
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 — — EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 — — WO disclosed
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