SCHEMBL7328014

SCHEMBL7328014

CCOC(=O)CC(C)N1CC(=O)N(Cc2ccccc2)c2ccc(CCC(=O)NCC(N)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
ITGB3 P05106 9/20 0.35
ITGA2B P08514 9/20 0.35
NR1H2 P55055 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
LTA4H P09960 1/20 0.32
POLB P06746 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL7333894 0.92 HDAC1 (0.35) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7329981 0.90 NR1H2 (0.34) ITGB3ITGA2BNR1H2GPR119LTA4H
SCHEMBL7330636 0.89 ITGB3 (0.39) ITGB3ITGA2BNR1H2
SCHEMBL7326098 0.88 RXRA (0.33) ITGB3ITGA2BNR1H2
SCHEMBL7324001 0.86 ITGB3 (0.39) HDAC1HDAC6ITGB3ITGA2BGPR119
SCHEMBL7328247 0.85 HDAC3 (0.35) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7330824 0.83 NR1H2 (0.33) NR1H2POLB
SCHEMBL7325806 0.83 MEN1 (0.34) ITGB3ITGA2BNR1H2LTA4HPOLB
SCHEMBL7327168 0.83 SIGMAR1 (0.37) HDAC1HDAC6ITGB3ITGA2B
SCHEMBL7326616 0.82 MEN1 (0.33) NR1H2POLB

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
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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed