SCHEMBL7748745

SCHEMBL7748745

CCOC(=O)[C@H](CNC(=O)C1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)NS(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.51
MMP13 P45452 7/20 0.50
MMP1 P03956 6/20 0.50
MMP9 P14780 6/20 0.50
MMP3 P08254 5/20 0.50
MMP7 P09237 5/20 0.50
MMP8 P22894 4/20 0.50
MMP2 P08253 4/20 0.50
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
POLB P06746 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
SCHEMBL7753410 0.93 STS (0.54) STSMMP13MMP1MMP9MMP3
SCHEMBL7494534 0.92 ITGB3 (0.51) STSMMP13ITGB3ITGA2BALDH1A1
SCHEMBL7748747 0.88 ITGB3 (0.47) STSMEN1KMT2AITGB3ITGA2B
SCHEMBL7503852 0.85 ITGB3 (0.54) STSMMP13MMP1MMP9MMP3
SCHEMBL7754664 0.84 ALDH1A1 (0.48) STSMMP13KMT2AITGB3ITGA2B
SCHEMBL7508442 0.82 ITGB3 (0.45) ITGB3ITGA2BMYCMAX
SCHEMBL7748663 0.82 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7496481 0.81 ITGB3 (0.48) MEN1KMT2AITGB3ITGA2BALDH1A1
SCHEMBL7498836 0.80 ITGB3 (0.54) ITGB3ITGA2BALDH1A1
SCHEMBL7753413 0.80 APLNR (0.45) STSLMNAMEN1KMT2AALDH1A1

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