SCHEMBL4558747

SCHEMBL4558747

NCCc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
PTGS2 P35354 5/20 0.58
TTR P02766 3/20 0.58
PTGS1 P23219 2/20 0.58
CXCL8 P10145 2/20 0.58
AKR1B10 O60218 1/20 0.58
UGT1A9 O60656 1/20 0.58
TRPA1 O75762 1/20 0.58
ABCB11 O95342 1/20 0.58
MT-CO2 P00403 1/20 0.58
ALB P02768 1/20 0.58
UGT1A6 P19224 1/20 0.58
UGT1A1 P22309 1/20 0.58
CXCR1 P25024 1/20 0.58
ADRA1A P35348 1/20 0.58
AGTR2 P50052 1/20 0.58
NR1I3 Q14994 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
UGT1A7 Q9HAW7 1/20 0.58

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
SCHEMBL13653118 0.86 PTGS2 (0.61) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL21724927 0.83 PTGS2 (0.62) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL13909059 0.83 PTGS2 (0.58) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL4054604 0.83 PTGS2 (0.58) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL9641224 0.80 PTGS2 (0.63) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL3807421 0.79 TAAR1 (0.62) TAAR1PTGS2TTRPTGS1CXCL8
SCHEMBL31325350 0.79 PTGS2 (0.66) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL764380 0.79 PTGS2 (0.66) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL28718414 0.79 PTGS2 (0.61) PTGS2TTRPTGS1CXCL8AKR1B10
SCHEMBL13653119 0.79 PTGS2 (0.61) PTGS2TTRPTGS1CXCL8AKR1B10

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-2046727-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DICLOFENAC WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-04-15 EP disclosed
WO-2008012602-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF DICLOFENAC WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-01-31 WO disclosed