SCHEMBL8518884

SCHEMBL8518884

CCc1ccccc1N1Cc2ccccc2N(C(N)=O)C(CC(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
LMNA P02545 2/20 0.37
HDAC1 Q13547 1/20 0.37
POLB P06746 1/20 0.37
ACE P12821 1/20 0.35
F2 P00734 1/20 0.34
AKT1 P31749 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SCN9A Q15858 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 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
SCHEMBL8518281 0.80 HDAC1 (0.39) NAMPTLMNAHDAC1POLBF2
SCHEMBL8519377 0.72 BRD4 (0.39) LMNAHDAC1POLBAKT1PDCD1
SCHEMBL8139001 0.67 L3MBTL1 (0.49) NAMPTHDAC1CA1CA2MEN1
SCHEMBL7400352 0.67 NAMPT (0.55) NAMPTHDAC1DRD2
SCHEMBL28619767 0.66 HDAC1 (0.50) NAMPTHDAC1CA1CA2
SCHEMBL7551243 0.65 L3MBTL1 (0.51) NAMPTLMNAHDAC1CA1CA2
SCHEMBL16192946 0.64 NPC1 (0.58) NAMPTHDAC1CA1HDAC6MEN1
SCHEMBL8372079 0.62 L3MBTL1 (0.56) NAMPTLMNAHDAC1CA1CA2
SCHEMBL3180689 0.62 L3MBTL1 (0.61) NAMPTHDAC1CA1CA2HDAC6
Propionamide SCHEMBL8144889 0.62 CA12 (0.55) NAMPTHDAC1AKT1CA1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed