SCHEMBL8956540

SCHEMBL8956540

Cc1c(Cl)ccc(Br)c1Nc1cscc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.45
CXCL8 P10145 4/20 0.44
CLIC1 O00299 1/20 0.44
CLCN2 P51788 1/20 0.44
ABCB11 O95342 2/20 0.41
PTGS1 P23219 2/20 0.41
NR1I3 Q14994 2/20 0.41
TTR P02766 2/20 0.41
AKR1B10 O60218 1/20 0.41
UGT1A9 O60656 1/20 0.41
TRPA1 O75762 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
SLC22A6 Q4U2R8 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL11342054 0.81 CXCL8 (0.44) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL11340774 0.80 CLCN2 (0.69) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL8957020 0.79 KMT2A (0.41) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL8956861 0.79 PTGS2 (0.72) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL8956419 0.79 PTGS2 (0.54) PTGS2CXCL8CLIC1CLCN2ABCB11
Eltenac SCHEMBL145080 0.78 PTGS2 (0.67) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL11346687 0.76 PTGS2 (0.51) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL11346658 0.75 PTGS2 (0.59) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL11353757 0.75 PTGS2 (0.67) PTGS2CXCL8CLIC1CLCN2ABCB11
SCHEMBL11351526 0.73 PTGS2 (0.49) PTGS2CXCL8CLIC1CLCN2ABCB11

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-0338494-B1 3-Anilino-2-hydroxycarbonyl-4-thiophen-acetic acids BYK GULDEN LOMBERG CHEM FAB (DE) 1996-01-10 EP disclosed
EP-0338494-A2 3-Anilino-2-hydroxycarbonyl-4-thiophen-acetic acids Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-10-25 EP disclosed