SCHEMBL16348349

SCHEMBL16348349

Cc1nn(-c2cc(Cl)ccc2OC(C(=O)O)c2ccccc2)nc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.58
PPARA Q07869 5/20 0.58
TSPO P30536 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL16348410 0.95 PPARG (0.59) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL16348406 0.90 PPARA (0.46) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL13374081 0.89 PPARG (0.63) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL13374080 0.89 PPARG (0.63) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL5644684 0.89 PPARG (0.63) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL13523120 0.88 PPARG (0.60) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL16348411 0.86 PPARG (0.54) PPARGPPARAPKMHTR2CHTR2B
SCHEMBL13523114 0.86 PPARG (0.51) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL13523102 0.84 PPARG (0.54) PPARGPPARATSPOALDH1A1NPSR1
SCHEMBL13522950 0.84 ALDH1A1 (0.57) PPARGPPARAALDH1A1NPSR1L3MBTL1

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