SCHEMBL7753351

SCHEMBL7753351

CCc1ccc(S(=O)(=O)N[C@@H](CNC(=O)CCNC(=O)c2ccc(C(=N)N)cc2)C(=O)Oc2ccc3c(c2)CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.46
ITGA2B P08514 13/20 0.46
F2 P00734 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRK1 P41145 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7754731 0.84 ITGB3 (0.51) ITGB3ITGA2BF2OPRK1
SCHEMBL7748597 0.83 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1MAPTGLA
SCHEMBL7748737 0.82 ITGB3 (0.62) ITGB3ITGA2BF2
SCHEMBL7753291 0.80 ITGB3 (0.48) ITGB3ITGA2BF2
SCHEMBL7753629 0.79 ITGB3 (0.47) ITGB3ITGA2BF2
SCHEMBL7748774 0.76 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7752735 0.76 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7752475 0.76 ITGB3 (0.61) ITGB3ITGA2BF2
SCHEMBL7752365 0.73 ITGB3 (0.62) ITGB3ITGA2B
SCHEMBL7752448 0.73 ITGB3 (0.54) ITGB3ITGA2BF2

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