SCHEMBL7753390

SCHEMBL7753390

COC(=O)[C@H](CNC(=O)CCNC(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.55
GPR119 Q8TDV5 1/20 0.49
BCHE P06276 4/20 0.48
ACHE P22303 4/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
P2RX7 Q99572 7/20 0.47
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL27448893 0.91 YAP1 (0.56) YAP1GPR119ITGB3ITGA2BP2RX7
SCHEMBL7748646 0.89 BCHE (0.51) YAP1GPR119BCHEACHEITGB3
SCHEMBL8186293 0.89 YAP1 (0.54) YAP1GPR119BCHEACHEITGB3
SCHEMBL8184024 0.88 YAP1 (0.52) YAP1GPR119BCHEACHEITGB3
SCHEMBL2999882 0.85 YAP1 (0.62) YAP1BCHEACHEP2RX7CACNA1F
SCHEMBL8147986 0.85 YAP1 (0.62) YAP1BCHEACHEP2RX7CACNA1F
SCHEMBL2999886 0.85 YAP1 (0.62) YAP1BCHEACHEP2RX7CACNA1F
SCHEMBL8176444 0.84 YAP1 (0.49) YAP1GPR119BCHEACHEITGB3
SCHEMBL6967652 0.84 BCHE (0.51) YAP1GPR119BCHEACHEITGB3
SCHEMBL12249924 0.84 YAP1 (0.62) YAP1GPR119P2RX7KDM4EPKM

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