SCHEMBL7754683

SCHEMBL7754683

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
MMP8 P22894 3/20 0.57
MMP12 P39900 3/20 0.57
MMP14 P50281 3/20 0.57
ITGB3 P05106 14/20 0.55
ITGA2B P08514 14/20 0.55
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 1/20 0.47

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
SCHEMBL7752420 0.96 ITGB3 (0.57) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27464972 0.91 MMP2 (0.59) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7753678 0.91 ITGB3 (0.60) MMP2MMP9MMP8MMP12MMP14
SCHEMBL27504937 0.87 MMP2 (0.58) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7752605 0.87 ITGB3 (0.60) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7752593 0.85 ITGB3 (0.61) MMP2MMP9MMP8MMP12MMP14
SCHEMBL7752629 0.83 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL27461966 0.83 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7752361 0.83 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7752644 0.82 ITGB3 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed