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Sugi Predict / Compounds / SCHEMBL6903473

SCHEMBL6903473

SCHEMBL6903473

Cc1ccc(C)c(SCCC(Oc2ccc(C(F)(F)F)cc2)C(=O)O)c1.Cc1cccc(SCCC(Oc2ccc(C(F)(F)F)cc2)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.44
▸ PPARA Q07869 5/20 0.44
▸ PTPN1 P18031 2/20 0.40
▸ PPARD Q03181 12/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3972769 0.92 PPARG (0.48) PPARGPPARAPTPN1PPARDSMN1; SMN2
SCHEMBL11993021 0.92 PPARG (0.51) PPARGPPARAPTPN1PPARD
SCHEMBL3976202 0.92 PPARG (0.51) PPARGPPARAPTPN1PPARD
Pemaglitazar SCHEMBL6902223 0.84 PPARA (0.52) PPARGPPARAPTPN1PPARD
Pemaglitazar SCHEMBL6902218 0.84 PPARA (0.52) PPARGPPARAPTPN1PPARD
SCHEMBL3968405 0.84 PPARG (0.48) PPARGPPARAPTPN1PPARDSMN1; SMN2
Pemaglitazar SCHEMBL6903499 0.84 PPARG (0.45) PPARGPPARAPTPN1PPARD
SCHEMBL6903479 0.83 PPARD (0.39) PPARGPPARAPPARD
SCHEMBL3973021 0.82 PPARG (0.47) PPARGPPARAPPARD
Pemaglitazar SCHEMBL3971139 0.82 PPARG (0.56) PPARGPPARAPTPN1

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-1412326-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-04-28 — — EP disclosed
WO-2003011819-A1 BUTYRIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2003-02-13 — — WO disclosed