SCHEMBL7127210

SCHEMBL7127210

CCOC(C(=O)O)C(CC)c1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.48
PPARG P37231 8/20 0.48
RORC P51449 2/20 0.37
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL5365643 0.85 PPARA (0.67) PPARAPPARGFFAR1
SCHEMBL7068947 0.83 PPARA (0.46) PPARAPPARGMAPTCA12CA1
SCHEMBL4073189 0.81 PPARA (0.71) PPARAPPARG
SCHEMBL4073200 0.81 PPARA (0.71) PPARAPPARG
SCHEMBL5661358 0.78 MTNR1A (0.41) RORC
SCHEMBL5365338 0.77 CXCR2 (0.47) PPARAPPARGFFAR1
SCHEMBL4076821 0.76 PPARA (0.58) PPARAPPARGMAPT
SCHEMBL4080386 0.76 PPARA (0.58) PPARAPPARGMAPT
SCHEMBL4797636 0.76 FFAR1 (0.52) PPARAPPARGFFAR1
SCHEMBL13655828 0.76 PPARA (0.47) PPARAPPARGRORCMAPT

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-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