SCHEMBL7325515

SCHEMBL7325515

CCOC(=O)CC(C)N1C(=O)c2cc(CCCCCNC(=O)OC(C)(C)C)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
ACE P12821 1/20 0.34
MDM2 Q00987 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL7334878 0.92 TPSAB1 (0.35) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL9493816 0.91 PDCD1 (0.36) PDCD1CD274ALDH1A1SIGMAR1HDAC8
SCHEMBL7326347 0.91 TPSAB1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7326646 0.90 TPSAB1 (0.36) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7328669 0.90 PDCD1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274
SCHEMBL7331044 0.88 SCN9A (0.33) ALDH1A1MDM2
SCHEMBL7323083 0.87 MDM2 (0.38) BRD4ALDH1A1HDAC8HDAC6HDAC2
SCHEMBL7329383 0.85 MAPT (0.38) NPSR1ALDH1A1MDM2MAPT
SCHEMBL7334581 0.85 MDM2 (0.33) MDM2
SCHEMBL7327168 0.84 SIGMAR1 (0.37) TPSAB1TPSD1TPSG1PDCD1CD274

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