SCHEMBL27450770

SCHEMBL27450770

CCNC(=N)c1ccc(S(=O)(=O)NCCC(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGA2B P08514 8/20 0.54
MMP2 P08253 11/20 0.53
MMP9 P14780 11/20 0.53
MMP8 P22894 7/20 0.51
MMP12 P39900 7/20 0.51
MMP14 P50281 7/20 0.51

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
SCHEMBL27450771 1.00 ITGB3 (0.54) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27504937 0.92 MMP2 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27449838 0.92 ITGB3 (0.54) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27449840 0.92 ITGB3 (0.54) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27464972 0.91 MMP2 (0.59) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27450767 0.90 MMP2 (0.55) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27450768 0.90 MMP2 (0.55) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL7753678 0.90 ITGB3 (0.60) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27462866 0.84 MMP2 (0.55) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27462867 0.84 MMP2 (0.55) ITGB3ITGA2BMMP2MMP9MMP8

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
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed