SCHEMBL8842947

SCHEMBL8842947

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(C=CCCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 3/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1L1 Q9UHC9 2/20 0.31
ACE P12821 1/20 0.31
NAMPT P43490 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DRD2 P14416 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
SCHEMBL8843104 0.92 UTS2R (0.33) UTS2RGAATPSAB1TPSD1TPSG1
SCHEMBL8842918 0.92 UTS2R (0.35) UTS2RGAAMAPTTPSAB1TPSD1
SCHEMBL7326194 0.86 PDCD1 (0.37) UTS2RGAAMAPTTPSAB1TPSD1
SCHEMBL7326692 0.85 ADORA3 (0.36) UTS2RTPSAB1TPSD1TPSG1PDCD1
SCHEMBL8842848 0.82 PDCD1 (0.38) UTS2RGAAMAPTPDCD1CD274
SCHEMBL8842925 0.81 ITGB3 (0.38) GAATPSAB1TPSD1TPSG1BRD4
SCHEMBL7325129 0.79 ITGB3 (0.34) UTS2RGAAMAPTMEN1KMT2A
SCHEMBL7330816 0.78 MEN1 (0.33) GAAMAPTPDCD1CD274MEN1
SCHEMBL7334319 0.78 SIGMAR1 (0.37) UTS2RMAPTTPSAB1TPSD1TPSG1
SCHEMBL7335699 0.78 PDCD1 (0.38) UTS2RMAPTTPSAB1TPSD1TPSG1

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 1 patent. 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