SCHEMBL16348403

SCHEMBL16348403

Cc1coc(-c2cc(Cl)ccc2OC(C(=O)O)c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
PPARG P37231 2/20 0.54
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
SCN9A Q15858 1/20 0.39
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL16348439 0.85 PPARA (0.52) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348390 0.85 PPARA (0.49) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348346 0.84 KEAP1 (0.42) PPARAPPARGKDM4EPTGDR2KEAP1
SCHEMBL16348377 0.83 PPARA (0.47) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348437 0.83 PPARA (0.47) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348407 0.83 PPARA (0.54) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348442 0.80 PPARA (0.44) PPARAPPARGMEN1POLBCASP3
SCHEMBL16348372 0.80 PPARG (0.56) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348354 0.80 PPARG (0.56) PPARAPPARGKDM4EMEN1POLB
SCHEMBL16348391 0.79 PPARG (0.48) PPARAPPARGMEN1POLBCASP3

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