SCHEMBL7362455

SCHEMBL7362455

CCC(C(=O)O)N1CC(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(C#CCCCNC(=N)N)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
HDAC1 Q13547 6/20 0.36
HDAC6 Q9UBN7 4/20 0.36
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7356192 0.88 ITGB3 (0.38) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7359373 0.87 ITGB3 (0.38) ITGB3ITGA2BHDAC1HDAC6HDAC3
SCHEMBL7357665 0.85 GAA (0.36) ITGB3ITGA2BALDH1A1GAA
SCHEMBL7360095 0.84 ITGB3 (0.51) ITGB3ITGA2BHDAC1HDAC6ALDH1A1
SCHEMBL7355380 0.84 ALDH1A1 (0.36) ITGB3ITGA2BALDH1A1GAA
SCHEMBL7332096 0.77 ITGB3 (0.40) ITGB3ITGA2BHDAC1HDAC6
Trifluoroacetic Acid SCHEMBL8836898 0.76 ITGB3 (0.48) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL9284699 0.75 MEN1 (0.33) ITGB3ITGA2BALDH1A1GAA
SCHEMBL7321434 0.74 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7430434 0.74 ITGB3 (0.45) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP claimed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP claimed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO claimed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed