SCHEMBL8558208

SCHEMBL8558208

N#Cc1ccc(C(=O)NC[C@H]2CC[C@H](N(C=O)CC(=O)c3ccc(OCC(=O)O)c(OCC(=O)O)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
AR P10275 1/20 0.44
CXCR3 P49682 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
F10 P00742 2/20 0.38
NAMPT P43490 1/20 0.37
AKR1B1 P15121 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL8558211 0.82 ITGB3 (0.67) ITGB3ITGA2BARCXCR3PTGDR2
SCHEMBL8554843 0.81 ITGB3 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8553247 0.79 ITGB3 (0.44) ITGB3ITGA2BPTGDR2
SCHEMBL8559370 0.77 ITGB3 (0.39) ITGB3ITGA2BF10
SCHEMBL8379555 0.70 ITGB3 (0.71) ITGB3ITGA2BPTGDR2AKR1B1
SCHEMBL7834615 0.70 PTGDR2 (0.53) ITGB3ITGA2BPTGDR2AKR1B1
SCHEMBL8554765 0.69 ITGB3 (0.71) ITGB3ITGA2BF10
Methyl Benzoate SCHEMBL28309419 0.66 AR (0.57) ARCXCR3EGLN2
SCHEMBL17730039 0.65 AR (0.56) ARCXCR3EGLN2CNR1CNR2
SCHEMBL17730038 0.65 AR (0.56) ARCXCR3EGLN2CNR1CNR2

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 2 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
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed