SCHEMBL7126502

SCHEMBL7126502

CCc1ccc(Nc2c(Cl)cccc2Cl)c(C(CC(=O)O)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.49
CXCL8 P10145 8/20 0.49
CAMK2A Q9UQM7 2/20 0.45
ABCB11 O95342 2/20 0.42
PTGS1 P23219 2/20 0.42
NR1I3 Q14994 2/20 0.42
PPARG P37231 1/20 0.42
TTR P02766 3/20 0.42
AKR1B10 O60218 1/20 0.42
UGT1A9 O60656 1/20 0.42
TRPA1 O75762 1/20 0.42
MT-CO2 P00403 1/20 0.42
ALB P02768 1/20 0.42
UGT1A6 P19224 1/20 0.42
UGT1A1 P22309 1/20 0.42
CXCR1 P25024 1/20 0.42
ADRA1A P35348 1/20 0.42
AGTR2 P50052 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL7122503 0.93 PTGS2 (0.54) PTGS2CXCL8CAMK2AABCB11PTGS1
SCHEMBL7129516 0.92 PTGS2 (0.53) PTGS2CXCL8CAMK2AABCB11PTGS1
SCHEMBL7122501 0.86 PTGS2 (0.64) PTGS2CXCL8CAMK2AABCB11PTGS1
SCHEMBL7128763 0.84 PTGS2 (0.42) PTGS2CXCL8ABCB11PTGS1NR1I3
SCHEMBL7122861 0.84 PTGS2 (0.39) PTGS2CXCL8ABCB11PTGS1NR1I3
SCHEMBL7132244 0.81 MAP2K2 (0.36) PTGS2ABCB11PTGS1NR1I3PPARG
SCHEMBL7131340 0.79 PTGS2 (0.67) PTGS2CXCL8CAMK2AABCB11PTGS1
SCHEMBL6036623 0.77 PTGS2 (0.72) PTGS2CXCL8CAMK2AABCB11PTGS1
SCHEMBL13186033 0.74 CXCL8 (0.68) PTGS2CXCL8CAMK2AABCB11PTGS1
SCHEMBL1031824 0.71 PTGS2 (0.76) PTGS2CXCL8CAMK2AABCB11PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 EP claimed