SCHEMBL7499998

SCHEMBL7499998

CN(CC(=O)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)CCc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CNR2 P34972 1/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NAMPT P43490 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GLA P06280 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
SCHEMBL7500221 0.90 ITGB3 (0.46) ITGB3ITGA2BKMT2AMEN1CYP11B1
SCHEMBL8009746 0.90 ITGB3 (0.45) ITGB3ITGA2BKMT2AMEN1CYP11B1
SCHEMBL8180044 0.77 ITGB3 (0.51) ITGB3ITGA2BKMT2AMEN1LTB4R
SCHEMBL7798164 0.73 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1LTB4R
SCHEMBL8363349 0.73 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1LTB4R
SCHEMBL7795113 0.72 ITGB3 (0.55) ITGB3ITGA2BKMT2AMEN1LTB4R
Hydrochloric Acid SCHEMBL7798200 0.72 ITGB3 (0.60) ITGB3ITGA2BKMT2AMEN1LTB4R
SCHEMBL8381416 0.71 ITGB3 (1.00) ITGB3ITGA2BKMT2AMEN1LTB4R
Trifluoroacetic Acid SCHEMBL8558440 0.71 ITGB3 (0.62) ITGB3ITGA2BKMT2AMEN1PTGDR2
SCHEMBL8379555 0.70 ITGB3 (0.71) ITGB3ITGA2BKMT2AMEN1PTGDR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US claimed
US-6028087-A Platelet aggregation inhibiting compounds SMITHKLINE BEECHAM CORPORATION (US) 2000-02-22 US disclosed
EP-0677043-A4 1995-11-22 EP disclosed
EP-0677043-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014775-A1 PLATELET AGGREGATION INHIBITING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed