SCHEMBL7328247

SCHEMBL7328247

CCOC(=O)CC(C)N1C(=O)c2cc(CCC(=O)NCC(N)C(=O)OC(C)(C)C)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
NR1H2 P55055 1/20 0.33
MDM2 Q00987 10/20 0.32
GPR119 Q8TDV5 1/20 0.32
TP53 P04637 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
SLC6A9 P48067 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
SCHEMBL7324131 0.92 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7331594 0.91 NR1H2 (0.34) NR1H2MDM2GPR119ITGB3ITGA2B
SCHEMBL7324454 0.91 NR1H2 (0.33) NR1H2
SCHEMBL7333356 0.90 NR1H2 (0.33) NR1H2
SCHEMBL9493816 0.90 PDCD1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7332703 0.86 MDM2 (0.36) MDM2GPR119ITGB3ITGA2B
SCHEMBL7328014 0.85 HDAC1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7331853 0.84 NR1H2 (0.32) NR1H2ITGB3ITGA2B
SCHEMBL7326332 0.84 ITGB3 (0.34) NR1H2MDM2ITGB3ITGA2BSLC6A9
SCHEMBL7325515 0.83 TPSAB1 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6

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 6 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed