SCHEMBL7127214

SCHEMBL7127214

CCO[C@@](CC)(Cc1ccc(NCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.41
PPARG P37231 4/20 0.41
RORC P51449 4/20 0.39
MAPT P10636 1/20 0.38
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
STS P08842 2/20 0.35
FFAR1 O14842 1/20 0.35
PTPRB P23467 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
SCHEMBL5365650 0.84 PPARA (0.58) PPARAPPARGFFAR1
SCHEMBL7068949 0.82 NPC1 (0.46) PPARAPPARGMAPTENPP3ENPP1
SCHEMBL5365344 0.81 CXCR2 (0.40) PPARAPPARG
SCHEMBL5661360 0.80 MTNR1A (0.40) PPARARORC
SCHEMBL4073189 0.75 PPARA (0.71) PPARAPPARG
SCHEMBL4073200 0.75 PPARA (0.71) PPARAPPARG
SCHEMBL4080386 0.72 PPARA (0.58) PPARAPPARGMAPT
SCHEMBL4076821 0.72 PPARA (0.58) PPARAPPARGMAPT
SCHEMBL5365631 0.72 PPARA (0.49) PPARAPPARGCA12CA1CA2
SCHEMBL7127210 0.72 PPARA (0.48) PPARAPPARGRORCMAPTCA12

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