SCHEMBL8552738

SCHEMBL8552738

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC(=O)c2ccc(OCC(=O)O)c(OCC(=O)O)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.69
ITGA2B P08514 6/20 0.69
ACACB O00763 6/20 0.46
ACACA Q13085 4/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 2/20 0.43

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
SCHEMBL8557508 0.87 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8559373 0.86 ITGB3 (0.74) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8556201 0.84 ITGB3 (0.66) ITGB3ITGA2BKMT2AMEN1ATM
SCHEMBL2011176 0.84 ITGB3 (0.54) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8557659 0.83 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1
Trifluoroacetic Acid SCHEMBL8553251 0.83 ITGB3 (0.69) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8552736 0.81 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1ATM
SCHEMBL8554843 0.81 ITGB3 (0.46) ITGB3ITGA2BACACBACACAKMT2A
SCHEMBL8554765 0.80 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8558211 0.80 ITGB3 (0.67) ITGB3ITGA2BKMT2AMEN1

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