SCHEMBL6903502

SCHEMBL6903502

Cc1ccc(SCCC(Oc2ccc(C(F)(F)F)cc2)C(=O)OC(=O)C(CCSc2cccc(Cl)c2)Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
PPARD Q03181 13/20 0.36
ALOX12 P18054 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 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
SCHEMBL6902221 0.89 PPARA (0.47) PPARGPPARAPPARDPTPN1
SCHEMBL3973311 0.84 PPARG (0.54) PPARGPPARAPTPN1
SCHEMBL6904075 0.84 PPARA (0.40) PPARGPPARAPPARDPTPN1
SCHEMBL6903479 0.83 PPARD (0.39) PPARGPPARAPPARD
Pemaglitazar SCHEMBL6903499 0.80 PPARG (0.45) PPARGPPARAPPARDPTPN1
SCHEMBL3971145 0.80 PPARA (0.52) PPARGPPARAPPARDPTPN1
SCHEMBL3973894 0.80 PPARA (0.52) PPARGPPARAPPARDPTPN1
SCHEMBL3971738 0.80 PPARA (0.52) PPARGPPARAPPARDPTPN1
SCHEMBL3976202 0.78 PPARG (0.51) PPARGPPARAPPARDPTPN1
SCHEMBL11993021 0.78 PPARG (0.51) PPARGPPARAPPARDPTPN1

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