SCHEMBL8552736

SCHEMBL8552736

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.64
ITGA2B P08514 10/20 0.64
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL8557506 0.88 ITGB3 (0.70) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL8833623 0.87 ITGB3 (0.68) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL8555692 0.82 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL8833323 0.82 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8552738 0.81 ITGB3 (0.69) ITGB3ITGA2BKMT2AMEN1ATM
SCHEMBL8832689 0.81 ITGB3 (0.63) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8832775 0.80 ITGB3 (0.62) ITGB3ITGA2BKMT2AMEN1
SCHEMBL8556201 0.79 ITGB3 (0.66) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL8557508 0.76 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL2011176 0.76 ITGB3 (0.54) 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