SCHEMBL7753348

SCHEMBL7753348

CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)CCC3CCNCC3)C(=O)O)cccc12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.60
ITGA2B P08514 7/20 0.60
F2 P00734 4/20 0.44
EPHX2 P34913 1/20 0.43
GBA1 P04062 1/20 0.43
TYMS P04818 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL7753355 0.88 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7752457 0.87 ITGB3 (0.48) ITGB3ITGA2BF2
SCHEMBL6976714 0.85 ITGB3 (0.60) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7951255 0.84 ITGB3 (0.60) ITGB3ITGA2BF2
SCHEMBL7752410 0.84 ITGAV (0.54) ITGB3ITGA2B
SCHEMBL7753656 0.83 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7754697 0.83 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7748689 0.82 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7748669 0.82 ITGAV (0.54) ITGB3ITGA2B
SCHEMBL7752487 0.82 ITGB3 (0.49) ITGB3ITGA2B

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