SCHEMBL16348442

SCHEMBL16348442

CCCCOCc1coc(-c2cc(Cl)ccc2OC(C(=O)O)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.44
PPARG P37231 9/20 0.44
PTGER1 P34995 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
FFAR1 O14842 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL16348398 0.96 PPARA (0.43) PPARAPPARGPTGER1MEN1POLB
SCHEMBL16348402 0.93 PPARA (0.37) PPARAPPARGPTGER1FFAR1
SCHEMBL16348377 0.91 PPARA (0.47) PPARAPPARGMEN1POLBCASP3
SCHEMBL16348390 0.87 PPARA (0.49) PPARAPPARGMEN1POLBCASP3
SCHEMBL16348401 0.86 PPARG (0.47) PPARAPPARGFFAR1
SCHEMBL16348345 0.86 PPARA (0.41) PPARAPPARGMEN1POLBCASP3
SCHEMBL16348437 0.85 PPARA (0.47) PPARAPPARGMEN1POLBCASP3
SCHEMBL16348439 0.84 PPARA (0.52) PPARAPPARGPTGER1MEN1POLB
SCHEMBL16348391 0.82 PPARG (0.48) PPARAPPARGMEN1POLBCASP3
SCHEMBL16348399 0.81 PPARG (0.47) PPARAPPARGFFAR1

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