SCHEMBL8560139

SCHEMBL8560139

CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
GPR119 Q8TDV5 9/20 0.47
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
LIMK2 P53671 1/20 0.42
YAP1 P46937 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8834001 0.79 ITGB3 (0.67) ITGB3ITGA2BGPR119PDE4DPDE4A
Trifluoroacetic Acid SCHEMBL8555841 0.78 ITGB3 (0.55) ITGB3ITGA2BPDE4DPDE4APDE4B
SCHEMBL8832736 0.78 ITGB3 (0.60) ITGB3ITGA2BGPR119PDE4DPDE4A
SCHEMBL7798164 0.77 ITGB3 (0.61) ITGB3ITGA2BMEN1KMT2A
SCHEMBL1724385 0.77 PDE4D (0.44) ITGB3ITGA2BGPR119PDE4DPDE4A
SCHEMBL1724386 0.77 PDE4D (0.44) ITGB3ITGA2BGPR119PDE4DPDE4A
Hydrochloric Acid SCHEMBL7798200 0.76 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2A
SCHEMBL8833267 0.75 ITGB3 (0.48) ITGB3ITGA2BPDE4DPDE4APDE4B
SCHEMBL9030544 0.73 PDE4D (0.44) ITGB3ITGA2BGPR119PDE4DPDE4A
SCHEMBL8833238 0.73 ITGB3 (0.58) ITGB3ITGA2BGPR119PDE4DPDE4A

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-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed