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SCHEMBL27464972

SCHEMBL27464972

CCCCCCNC(=N)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.59
▸ MMP9 P14780 8/20 0.59
▸ MMP8 P22894 5/20 0.59
▸ MMP12 P39900 5/20 0.59
▸ MMP14 P50281 5/20 0.59
▸ ALDH1A1 P00352 3/20 0.54
▸ ITGB3 P05106 7/20 0.49
▸ ITGA2B P08514 7/20 0.49
▸ EPHX2 P34913 2/20 0.49

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
SCHEMBL27504937 0.96 MMP2 (0.58) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7754683 0.91 MMP2 (0.57) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27450770 0.91 ITGB3 (0.54) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27450771 0.91 ITGB3 (0.54) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7752420 0.87 ITGB3 (0.57) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27449840 0.87 ITGB3 (0.54) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27449838 0.87 ITGB3 (0.54) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27450767 0.85 MMP2 (0.55) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27450768 0.85 MMP2 (0.55) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7753678 0.81 ITGB3 (0.60) MMP2MMP9MMP8MMP12MMP14

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