SCHEMBL6385877

SCHEMBL6385877

O=C(O)C(CCCCO[N+](=O)[O-])c1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 8/20 0.50
PTGS2 P35354 5/20 0.41
TTR P02766 3/20 0.41
PTGS1 P23219 2/20 0.41
AKR1B10 O60218 1/20 0.41
UGT1A9 O60656 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
MT-CO2 P00403 1/20 0.41
ALB P02768 1/20 0.41
UGT1A6 P19224 1/20 0.41
UGT1A1 P22309 1/20 0.41
CXCR1 P25024 1/20 0.41
ADRA1A P35348 1/20 0.41
AGTR2 P50052 1/20 0.41
NR1I3 Q14994 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
UGT1A7 Q9HAW7 1/20 0.41
UGT1A10 Q9HAW8 1/20 0.41

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
SCHEMBL6385872 1.00 CXCL8 (0.50) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL9008056 0.89 TTR (0.47) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL6444552 0.89 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL4157898 0.89 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL6444559 0.89 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL4157893 0.89 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL5974909 0.82 CXCL8 (0.59) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL5154999 0.80 CXCL8 (0.48) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL5152439 0.80 CXCL8 (0.48) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL5152429 0.80 CXCL8 (0.48) CXCL8PTGS2TTRPTGS1AKR1B10

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-1558559-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC Nicox S.A. (FR) 2005-08-03 EP disclosed
WO-2004026808-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA. (FR) 2004-04-01 WO disclosed