SCHEMBL8556201

SCHEMBL8556201

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.66
ITGA2B P08514 9/20 0.66
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LIMK2 P53671 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.34
PTGIR P43119 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL8552738 0.84 ITGB3 (0.69) ITGB3ITGA2BKMT2AMEN1ATM
SCHEMBL8552736 0.79 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1ATM
SCHEMBL8557508 0.79 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL8553251 0.79 ITGB3 (0.69) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL8559373 0.78 ITGB3 (0.74) ITGB3ITGA2BKMT2AMEN1NPC1
SCHEMBL7798164 0.77 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1LTB4R
Trifluoroacetic Acid SCHEMBL8553663 0.77 ITGB3 (0.88) ITGB3ITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL7798200 0.76 ITGB3 (0.60) ITGB3ITGA2BKMT2AMEN1LTB4R
SCHEMBL8557659 0.76 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1PKM
SCHEMBL2011176 0.75 ITGB3 (0.54) ITGB3ITGA2BKMT2AMEN1LTB4R

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