SCHEMBL8557525

SCHEMBL8557525

CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)[C@H]1CC[C@H](C(N)=S)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.60
ITGA2B P08514 8/20 0.60
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
HSD11B1 P28845 1/20 0.37
LTB4R Q15722 3/20 0.36
LTB4R2 Q9NPC1 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8555133 0.90 ITGB3 (0.66) ITGB3ITGA2BMEN1KMT2AHSD11B1
SCHEMBL8555229 0.84 ITGB3 (0.53) ITGB3ITGA2BMEN1KMT2AHSD11B1
Trifluoroacetic Acid SCHEMBL8558175 0.84 ITGB3 (0.59) ITGB3ITGA2BMEN1KMT2AHSD11B1
SCHEMBL8832760 0.84 ITGB3 (0.58) ITGB3ITGA2BMEN1KMT2AHSD11B1
SCHEMBL8381416 0.75 ITGB3 (1.00) ITGB3ITGA2BMEN1KMT2ALTB4R
SCHEMBL8379157 0.73 ITGB3 (0.76) ITGB3ITGA2BMEN1KMT2ALTB4R
SCHEMBL7798164 0.72 ITGB3 (0.61) ITGB3ITGA2BMEN1KMT2ALTB4R
Hydrochloric Acid SCHEMBL7798200 0.71 ITGB3 (0.60) ITGB3ITGA2BMEN1KMT2ALTB4R
SCHEMBL14427061 0.71 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2ALTB4R
SCHEMBL14426983 0.71 ITGB3 (0.52) ITGB3ITGA2BMEN1KMT2ALTB4R

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