Sugi Predict

Sugi Predict / Compounds / SCHEMBL6905028

SCHEMBL6905028

SCHEMBL6905028

COc1ccc(OC(CCSc2ccc(C)cc2C)C(=O)O)cc1.Cc1ccc(C)c(SCCC(Oc2ccc(Cl)c(Cl)c2)C(=O)O)c1.Cc1ccc(SCCC(Oc2ccc(Cl)cc2)C(=O)O)c(C)c1.Cc1ccc(SCCC(Oc2ccc(F)cc2)C(=O)O)c(C)c1.Cc1ccc(SCCC(Oc2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.38
▸ PPARA Q07869 12/20 0.37
▸ SLC22A12 Q96S37 1/20 0.33
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL6905037 0.86 PPARG (0.30) PPARGSLC22A12
SCHEMBL3978556 0.82 PPARG (0.53) PPARGPPARA
SCHEMBL3971122 0.78 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL3972905 0.77 PPARG (0.54) PPARGPPARA
SCHEMBL3972070 0.77 PPARG (0.45) PPARGPPARA
SCHEMBL3972769 0.77 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL3968405 0.77 PPARG (0.48) PPARGPPARAPPARD
SCHEMBL3972373 0.76 PPARG (0.46) PPARGPPARA
SCHEMBL3979354 0.76 PPARG (0.46) PPARGPPARA
SCHEMBL11992998 0.75 PPARG (0.58) PPARGPPARA

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