SCHEMBL16348405

SCHEMBL16348405

Cc1nc(-c2cc(Cl)ccc2OC(C(=O)O)c2ccc(Cl)cc2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
PPARA Q07869 2/20 0.53
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TSHR P16473 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC9A1 P19634 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TARBP2 Q15633 1/20 0.37
CTSA P10619 3/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL16348407 0.94 PPARA (0.54) PPARGPPARAPOLBMEN1CASP3
SCHEMBL16348384 0.84 PPARG (0.48) PPARGPPARAHTR2CHTR2BCTSA
SCHEMBL13522838 0.81 PPARG (0.54) PPARGPPARAPOLBMEN1CASP3
SCHEMBL16348373 0.77 PPARG (0.55) PPARGPPARAPOLBMEN1CASP3
SCHEMBL16348353 0.77 PPARG (0.55) PPARGPPARAPOLBMEN1CASP3
SCHEMBL16348403 0.77 PPARA (0.54) PPARGPPARAPOLBMEN1CASP3
SCHEMBL13522844 0.77 PPARG (0.57) PPARGPPARAPOLBMEN1CASP3
SCHEMBL16348391 0.76 PPARG (0.48) PPARGPPARAPOLBMEN1CASP3
SCHEMBL13522845 0.76 PTGS2 (0.48) PPARGPPARAPOLBMEN1CASP3
SCHEMBL13523037 0.75 PPARG (0.49) PPARGPPARAPOLBMEN1CASP3

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