SCHEMBL3874288

SCHEMBL3874288

C=Cc1ccc(Nc2ccc(C)cc2CC(=O)O)c(F)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.48
ABCB11 O95342 1/20 0.47
PTGS1 P23219 1/20 0.47
PPARG P37231 1/20 0.47
NR1I3 Q14994 1/20 0.47
SRC P12931 1/20 0.40
CXCL8 P10145 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CAMK2A Q9UQM7 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK3 P27361 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL4318792 0.89 PTGS2 (0.37) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3869145 0.85 PTGS2 (0.53) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3870142 0.84 PTGS2 (0.52) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3869939 0.83 PTGS2 (0.51) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL27773589 0.81 PTGS2 (0.53) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3871928 0.74 PTGS2 (0.65) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL4321256 0.73 PTGS2 (0.40) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3870953 0.73 PTGS2 (0.40) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3881581 0.73 PTGS2 (0.47) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL3871405 0.73 CXCL8 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046723-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008002853-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2008-01-03 WO disclosed