SCHEMBL8552720

SCHEMBL8552720

N=C(N)N1CCC(C(=O)NCC(=O)c2ccc(OCC(=O)O)c(OCC(=O)O)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.68
ITGA2B P08514 10/20 0.68
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TMPRSS15 P98073 2/20 0.44
GLA P06280 1/20 0.43
F10 P00742 4/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8557659 0.83 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1TMPRSS15
SCHEMBL8554765 0.80 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1F10
SCHEMBL8833323 0.79 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1TMPRSS15
SCHEMBL8832689 0.78 ITGB3 (0.63) ITGB3ITGA2BKMT2AMEN1TMPRSS15
SCHEMBL8557506 0.77 ITGB3 (0.70) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8557508 0.76 ITGB3 (0.76) ITGB3ITGA2BKMT2AMEN1
Trifluoroacetic Acid SCHEMBL8553663 0.76 ITGB3 (0.88) ITGB3ITGA2BKMT2AMEN1F10
SCHEMBL8833623 0.76 ITGB3 (0.68) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8559373 0.76 ITGB3 (0.74) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8555692 0.75 ITGB3 (0.64) ITGB3ITGA2BKMT2AMEN1TMPRSS15

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