SCHEMBL7752671

SCHEMBL7752671

CCOC(=O)[C@H](CNC(=O)CCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.60
ITGB3 P05106 2/20 0.49
ITGAV P06756 1/20 0.49
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
MAPT P10636 2/20 0.46
ITGA2B P08514 1/20 0.46
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARA Q07869 1/20 0.44
CTSK P43235 4/20 0.44
ACE P12821 1/20 0.44

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
SCHEMBL7754673 0.92 SYK (0.59) SYKITGB3ITGAVCAPN1CAPN2
SCHEMBL27451232 0.91 SYK (0.60) SYKITGB3ITGAVCAPN1CAPN2
SCHEMBL7752415 0.91 SYK (0.71) SYKCTSSCTSLCTSBPPARA
SCHEMBL30460045 0.85 SYK (0.72) SYKCTSSCTSLCTSBPPARA
SCHEMBL3897638 0.83 SYK (0.72) SYKMAPTCTSSCTSLCTSB
SCHEMBL7748646 0.82 BCHE (0.51) ITGB3MAPTITGA2BMAPK1
SCHEMBL479093 0.82 SYK (0.71) SYKKLK5CTSSCTSLCTSB
SCHEMBL479092 0.82 SYK (0.71) SYKKLK5CTSSCTSLCTSB
SCHEMBL14496968 0.82 SYK (0.71) SYKKLK5CTSSCTSLCTSB
SCHEMBL8251412 0.82 SYK (0.53) SYKCTSSSIRT2SIRT1PPARA

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