SCHEMBL9753071

SCHEMBL9753071

NCCCC[C@H](NS(=O)(=O)c1ccccc1)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.71
MMP2 P08253 9/20 0.71
ITGB3 P05106 6/20 0.51
ITGA2B P08514 6/20 0.51
ADAMTS4 O75173 2/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6562688 0.90 MMP9 (0.87) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL6562692 0.90 MMP9 (0.87) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL1800122 0.89 MMP2 (0.65) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL29928063 0.87 MMP9 (0.70) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL20008635 0.85 MMP9 (0.67) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL7980130 0.85 MMP9 (0.67) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL28212986 0.85 MMP9 (0.67) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL2928319 0.81 MMP2 (0.53) MMP9MMP2ITGB3ITGA2BADAMTS4
SCHEMBL18720236 0.81 MMP9 (0.61) MMP9MMP2ITGB3ITGA2BADAMTS4
Hydrochloric Acid SCHEMBL6290437 0.79 MMP9 (0.59) MMP9MMP2ITGB3ITGA2BMMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO claimed