SCHEMBL7213102

SCHEMBL7213102

Cc1ccc(Nc2cc(F)c(F)c(F)c2F)c(CC(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
ABCB11 O95342 1/20 0.59
PTGS1 P23219 1/20 0.59
PPARG P37231 1/20 0.59
NR1I3 Q14994 1/20 0.59
CXCL8 P10145 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 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
SCHEMBL1032843 0.85 PTGS2 (0.66) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL6152172 0.85 CXCL8 (0.46) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL1032907 0.85 PTGS2 (0.69) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3871928 0.80 PTGS2 (0.65) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL17917294 0.80 PTGS2 (0.85) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL17917316 0.79 PTGS2 (0.65) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3869145 0.77 PTGS2 (0.53) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL27773589 0.77 PTGS2 (0.53) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL13633978 0.76 PTGS2 (0.80) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3871688 0.76 PTGS2 (0.60) PTGS2ABCB11PTGS1PPARGNR1I3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003510303-A 2003-03-18 JP claimed
EP-1216226-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES Novartis AG (CH) 2002-06-26 EP claimed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 WO claimed
EP-1216226-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES Novartis AG (CH) 2002-06-26 EP disclosed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 WO disclosed