SCHEMBL11518282

SCHEMBL11518282

O=C(O)C(=O)c1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
TTR P02766 3/20 0.56
PTGS1 P23219 3/20 0.56
CXCL8 P10145 2/20 0.56
MT-CO2 P00403 2/20 0.56
ADRA1A P35348 2/20 0.56
AKR1B10 O60218 2/20 0.56
ABCB11 O95342 2/20 0.56
UGT1A9 O60656 1/20 0.56
TRPA1 O75762 1/20 0.56
ALB P02768 1/20 0.56
UGT1A6 P19224 1/20 0.56
UGT1A1 P22309 1/20 0.56
CXCR1 P25024 1/20 0.56
AGTR2 P50052 1/20 0.56
NR1I3 Q14994 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
UGT1A7 Q9HAW7 1/20 0.56
UGT1A10 Q9HAW8 1/20 0.56

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
SCHEMBL11564156 0.90 PTGS2 (0.61) PTGS2TTRPTGS1CXCL8MT-CO2
SCHEMBL374641 0.86 FTO (0.71) PTGS2TTRPTGS1MT-CO2ADRA1A
SCHEMBL374772 0.83 PTGS2 (0.55) PTGS2TTRPTGS1CXCL8MT-CO2
SCHEMBL11517374 0.83 CLCN2 (0.53) PTGS2TTRPTGS1CXCL8MT-CO2
SCHEMBL11564152 0.83 MT-CO2 (0.78) PTGS2TTRPTGS1MT-CO2ADRA1A
SCHEMBL11407549 0.81 CXCL8 (0.55) PTGS2TTRPTGS1CXCL8MT-CO2
SCHEMBL9735209 0.80 FTO (0.56) PTGS2TTRPTGS1CXCL8MT-CO2
SCHEMBL11451926 0.79 PTGS2 (0.72) PTGS2TTRPTGS1CXCL8MT-CO2
SCHEMBL11516532 0.78 METTL3 (0.58) PTGS2TTRPTGS1CXCL8MT-CO2
Acetamide SCHEMBL27431923 0.78 CXCL8 (0.57) PTGS2TTRPTGS1CXCL8MT-CO2

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
US-4166128-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENTS, RHEUMATIC DISEASES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-08-28 US disclosed
US-4166128-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENTS, RHEUMATIC DISEASES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-08-28 US disclosed