SCHEMBL9018094

SCHEMBL9018094

CC(C)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 9/20 0.43
CXCR2 P25025 9/20 0.43
GABRA5 P31644 3/20 0.39
EPHX2 P34913 1/20 0.38
GRM5 P41594 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL9018418 0.92 CXCR2 (0.46) CXCR1CXCR2GABRA5EPHX2
SCHEMBL9018410 0.90 P4HTM (0.47) GABRA5EPHX2OPRM1OPRD1
SCHEMBL9018172 0.89 MMP8 (0.47) OPRM1OPRD1
SCHEMBL9018316 0.88 CXCR1 (0.45) CXCR1CXCR2GABRA5EPHX2
SCHEMBL9018373 0.87 CXCR2 (0.48) CXCR1CXCR2GABRA5
SCHEMBL9139374 0.86 P4HTM (0.44) CXCR1CXCR2
SCHEMBL9018043 0.84 GABRA5 (0.47) GABRA5EPHX2OPRM1OPRD1
SCHEMBL9018441 0.83 GABRA5 (0.52) GABRA5
SCHEMBL9018368 0.83 GABRA5 (0.46) GABRA5EPHX2OPRM1OPRD1
SCHEMBL8867737 0.83 P4HTM (0.40) CXCR1CXCR2

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-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed