SCHEMBL6152172

SCHEMBL6152172

CCc1ccc(Nc2cc(F)c(F)c(F)c2F)c(CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.46
PTGS2 P35354 6/20 0.44
ABCB11 O95342 1/20 0.44
PTGS1 P23219 1/20 0.44
PPARG P37231 1/20 0.44
NR1I3 Q14994 1/20 0.44
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
CAMK2A Q9UQM7 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
METAP2 P50579 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
Robenacoxib SCHEMBL31121793 0.87 PTGS2 (0.50) CXCL8PTGS2ABCB11PTGS1PPARG
Robenacoxib SCHEMBL6036596 0.87 PTGS2 (0.50) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL7213102 0.85 PTGS2 (0.60) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL1034053 0.83 PTGS2 (0.52) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL21650216 0.83 PTGS2 (0.49) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL3873443 0.81 PTGS2 (0.49) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL3869439 0.80 PTGS2 (0.46) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL3871405 0.80 CXCL8 (0.39) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL3870953 0.78 PTGS2 (0.40) CXCL8PTGS2ABCB11PTGS1PPARG
SCHEMBL3872484 0.78 PTGS2 (0.44) CXCL8PTGS2ABCB11PTGS1PPARG

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-1575581-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS Novartis AG (CH) 2005-09-21 EP claimed
WO-2004054575-A1 COMBINATIONS OF VALSARTAN WITH COX-2 INHIBITORS NOVARTIS AG (CH) 2004-07-01 WO claimed