SCHEMBL6832487

SCHEMBL6832487

CCOC(=O)C(Cc1ccc(NCC=Cc2ccc(OS(C)(=O)=O)cc2)cc1)OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.43
PPARA Q07869 13/20 0.42
PPARD Q03181 9/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL4081606 1.00 PPARG (0.43) PPARGPPARAPPARDCA12CA1
SCHEMBL4081609 1.00 PPARG (0.43) PPARGPPARAPPARDCA12CA1
SCHEMBL4081602 1.00 PPARG (0.43) PPARGPPARAPPARDCA12CA1
SCHEMBL13649262 0.92 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4081639 0.92 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4081634 0.92 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4076691 0.92 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4076700 0.92 PPARG (0.50) PPARGPPARAPPARD
SCHEMBL4073182 0.89 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL4073175 0.89 PPARG (0.47) PPARGPPARAPPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP claimed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO claimed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO disclosed