SCHEMBL7754673

SCHEMBL7754673

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
ITGB3 P05106 2/20 0.51
ITGAV P06756 1/20 0.51
KYNU Q16719 1/20 0.48
MAPT P10636 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
CTSS P25774 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
KLK5 Q9Y337 3/20 0.47
KLK7 P49862 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
PPARA Q07869 1/20 0.46
CTSK P43235 3/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL27451232 0.93 SYK (0.60) SYKITGB3ITGAVMAPTSIRT2
SCHEMBL7752671 0.92 SYK (0.60) SYKITGB3ITGAVMAPTSIRT2
SCHEMBL479093 0.90 SYK (0.71) SYKKYNUCTSSCTSLCTSB
SCHEMBL14496968 0.90 SYK (0.71) SYKKYNUCTSSCTSLCTSB
SCHEMBL479092 0.90 SYK (0.71) SYKKYNUCTSSCTSLCTSB
SCHEMBL23455619 0.89 SYK (0.61) SYKITGB3ITGAVKYNUCTSS
SCHEMBL8174628 0.89 SYK (0.61) SYKITGB3ITGAVKYNUCTSS
SCHEMBL16924443 0.87 SYK (0.61) SYKKYNUMAPTSIRT2SIRT1
SCHEMBL14561127 0.86 SYK (0.61) SYKKYNUMAPTSIRT2SIRT1
SCHEMBL6231600 0.86 SYK (0.64) SYKKYNUMAPTCTSSCTSL

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