SCHEMBL16348372

SCHEMBL16348372

O=C(O)C(Oc1ccc(Cl)cc1-c1ncco1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.56
PPARA Q07869 3/20 0.56
CTSA P10619 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PTGER1 P34995 1/20 0.37
TRPM4 Q8TD43 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
SCHEMBL16348373 0.94 PPARG (0.55) PPARGPPARACTSAKMT2AMEN1
SCHEMBL21056882 0.82 TSHR (0.54) PPARGPPARACTSAKDM4EALDH1A1
SCHEMBL21056883 0.82 TSHR (0.54) PPARGPPARACTSAKDM4EALDH1A1
SCHEMBL16348354 0.82 PPARG (0.56) PPARGPPARAKMT2AMEN1POLB
SCHEMBL16348403 0.80 PPARA (0.54) PPARGPPARACTSAKMT2AMEN1
SCHEMBL13523076 0.79 PPARG (0.50) PPARGPPARAKMT2AMEN1POLB
SCHEMBL16348439 0.78 PPARA (0.52) PPARGPPARACTSAKMT2AMEN1
SCHEMBL13523175 0.78 PPARG (0.60) PPARGPPARAKMT2AMEN1POLB
SCHEMBL13522844 0.78 PPARG (0.57) PPARGPPARAKMT2AMEN1POLB
SCHEMBL16348407 0.78 PPARA (0.54) PPARGPPARACTSAKMT2AMEN1

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