SCHEMBL7752349

SCHEMBL7752349

N=C(N)c1ccc(OCCCC(=O)NC[C@H](NS(=O)(=O)c2ccccc2N)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.52
ITGA2B P08514 11/20 0.52
ITGAV P06756 6/20 0.49
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7753614 0.89 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7752535 0.89 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL27547990 0.89 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7753667 0.88 ITGB3 (0.49) ITGB3ITGA2BITGAV
SCHEMBL7753368 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL27489722 0.86 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7752655 0.85 ITGB3 (0.51) ITGB3ITGA2BITGAV
SCHEMBL7753251 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7753569 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7748703 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAV

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 3 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