SCHEMBL7357809

SCHEMBL7357809

CCOC(=O)CCN1CC(=O)N(Cc2cccc(NC(=O)CCCNC(=O)OC(C)(C)C)c2)c2ccc(CCCCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR7 Q9NYK1 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
BRD4 O60885 1/20 0.35
DRD2 P14416 1/20 0.35
WDR5 P61964 1/20 0.34
RORC P51449 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPY1R P25929 1/20 0.34

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
SCHEMBL7353751 0.97 CA1 (0.39) CA1CA2AKT1ALDH1A1LMNA
SCHEMBL7364280 0.94 CA1 (0.40) CA1CA2LMNATLR7SIGMAR1
SCHEMBL8837087 0.91 TLR7 (0.38) CA1CA2ALDH1A1LMNAPKM
SCHEMBL7361241 0.90 TPSAB1 (0.37) SIGMAR1TPSAB1TPSD1TPSG1BRD4
SCHEMBL7362781 0.89 TPSAB1 (0.38) CA1CA2TLR7SIGMAR1TPSAB1
SCHEMBL7322297 0.88 SIGMAR1 (0.37) SIGMAR1TPSAB1TPSD1TPSG1BRD4
SCHEMBL7323040 0.88 SIGMAR1 (0.37) SIGMAR1TPSAB1TPSD1TPSG1BRD4
SCHEMBL8842938 0.88 TPSAB1 (0.39) SIGMAR1TPSAB1TPSD1TPSG1BRD4
SCHEMBL7321682 0.88 TPSAB1 (0.39) SIGMAR1TPSAB1TPSD1TPSG1BRD4
SCHEMBL7356624 0.87 TPSAB1 (0.37) TLR7SIGMAR1TPSAB1TPSD1TPSG1

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