SCHEMBL13522845

SCHEMBL13522845

COc1ccc(C(Oc2ccc(Cl)cc2-c2nc3ccccc3o2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
TP53 P04637 4/20 0.47
MAPT P10636 7/20 0.46
THRB P10828 1/20 0.46
AGPAT2 O15120 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44

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
SCHEMBL13523050 0.94 MAPT (0.48) PTGS2PPARGPPARATP53MAPT
SCHEMBL13523065 0.92 KDM4E (0.51) PTGS2TP53MAPTTHRBAGPAT2
SCHEMBL13522838 0.92 PPARG (0.54) PTGS2PPARGPPARATP53MAPT
SCHEMBL13522844 0.91 PPARG (0.57) PTGS2PPARGPPARATP53MAPT
SCHEMBL13523019 0.91 MAPT (0.48) PTGS2PPARGPPARATP53MAPT
SCHEMBL13523053 0.89 MAPT (0.52) PTGS2TP53MAPTTHRBAGPAT2
SCHEMBL13523068 0.89 MAPT (0.46) PTGS2PPARGPPARATP53MAPT
SCHEMBL13523037 0.89 PPARG (0.49) PTGS2PPARGPPARATP53MAPT
SCHEMBL13523048 0.88 RXFP1 (0.47) PTGS2PPARGPPARATP53MAPT
SCHEMBL13523043 0.87 MAPT (0.48) PTGS2TP53MAPTTHRBALDH1A1

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