SCHEMBL16348402

SCHEMBL16348402

CCCCOCc1coc(-c2cc(Cl)ccc2OC(C(=O)O)c2cccc(Br)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.37
PPARG P37231 8/20 0.37
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
DRD3 P35462 5/20 0.36
FFAR1 O14842 1/20 0.35
PTGER1 P34995 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
SCHEMBL16348442 0.93 PPARA (0.44) PPARAPPARGFFAR1PTGER1
SCHEMBL16348398 0.90 PPARA (0.43) PPARAPPARGFFAR1PTGER1
SCHEMBL16348345 0.86 PPARA (0.41) PPARAPPARGFFAR1
SCHEMBL16348377 0.84 PPARA (0.47) PPARAPPARGDRD2DRD4DRD3
SCHEMBL16348401 0.81 PPARG (0.47) PPARAPPARGFFAR1
SCHEMBL16348441 0.81 PPARG (0.43) PPARAPPARG
SCHEMBL16348440 0.81 PPARA (0.41) PPARAPPARGFFAR1
SCHEMBL16348390 0.80 PPARA (0.49) PPARAPPARGDRD2DRD4DRD3
SCHEMBL16348437 0.79 PPARA (0.47) PPARAPPARGDRD2DRD4DRD3
SCHEMBL16348391 0.77 PPARG (0.48) PPARAPPARGDRD2DRD4DRD3

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed