SCHEMBL7748747

SCHEMBL7748747

CCOC(=O)[C@H](CNC(=O)C1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)NS(=O)(=O)c1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
TGFBR1 P36897 1/20 0.43
MYC P01106 2/20 0.43
MAX P61244 2/20 0.43
STS P08842 1/20 0.42
APLNR P35414 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FDFT1 P37268 1/20 0.40
F2R P25116 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7753413 0.93 APLNR (0.45) TGFBR1STSAPLNRALDH1A1MEN1
SCHEMBL7494534 0.90 ITGB3 (0.51) ITGB3ITGA2BTGFBR1MYCMAX
SCHEMBL7748745 0.88 STS (0.51) ITGB3ITGA2BMYCMAXSTS
SCHEMBL7503852 0.83 ITGB3 (0.54) ITGB3ITGA2BTGFBR1MYCMAX
SCHEMBL7748667 0.83 ITGB3 (0.64) ITGB3ITGA2BF2R
SCHEMBL7498836 0.83 ITGB3 (0.54) ITGB3ITGA2BALDH1A1F2R
SCHEMBL7754664 0.82 ALDH1A1 (0.48) ITGB3ITGA2BSTSALDH1A1KMT2A
SCHEMBL7508442 0.82 ITGB3 (0.45) ITGB3ITGA2BMYCMAXF2R
SCHEMBL7503244 0.82 ITGB3 (0.50) ITGB3ITGA2BALDH1A1F2R
SCHEMBL6936056 0.81 ITGB3 (0.69) ITGB3ITGA2BALDH1A1F2R

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