SCHEMBL7126780

SCHEMBL7126780

CC(C(=O)O)c1ccccc1Nc1c(F)cccc1Cl

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 8/20 0.82
PTGS2 P35354 5/20 0.49
PTGS1 P23219 3/20 0.49
ABCB11 O95342 2/20 0.49
NR1I3 Q14994 2/20 0.49
PPARG P37231 1/20 0.49
TTR P02766 3/20 0.44
AKR1B10 O60218 1/20 0.44
UGT1A9 O60656 1/20 0.44
TRPA1 O75762 1/20 0.44
MT-CO2 P00403 1/20 0.44
ALB P02768 1/20 0.44
UGT1A6 P19224 1/20 0.44
UGT1A1 P22309 1/20 0.44
CXCR1 P25024 1/20 0.44
ADRA1A P35348 1/20 0.44
AGTR2 P50052 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
UGT1A7 Q9HAW7 1/20 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
SCHEMBL12129515 0.90 CXCL8 (1.00) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL3151521 0.90 CXCL8 (1.00) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL3137707 0.90 CXCL8 (1.00) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL5975932 0.84 CXCL8 (0.57) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL1679090 0.77 CXCL8 (0.56) CXCL8PTGS2PTGS1LMNAKMT2A
SCHEMBL10992714 0.76 CXCL8 (0.73) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL27595572 0.76 PTGS2 (0.64) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL7716835 0.76 CXCL8 (0.73) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL11403823 0.76 CXCL8 (0.73) CXCL8PTGS2PTGS1ABCB11NR1I3
SCHEMBL28809681 0.75 CXCL8 (0.71) CXCL8PTGS2PTGS1ABCB11NR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100490797-C Pharmaceutical composition NOVARTIS AG (CH) 2009-05-27 CN claimed
CN-100406008-C Pharmaceutical composition comprising lumiracoxib NOVARTIS AG (CH) 2008-07-30 CN claimed
CN-1455691-A Pharmaceutical composition NOVARTIS AG (CH) 2003-11-12 CN claimed
CN-1330300-C Pharmaceutical compositions NOVARTIS AG (CH) 2007-08-08 CN disclosed
CN-1638752-A Pharmaceutical compositions NOVARTIS AG (CH) 2005-07-13 CN disclosed
US-20030114527-A1 Pharmaceutical composition NOVARTIS AG (CH) 2003-06-19 US disclosed