SCHEMBL8518281

SCHEMBL8518281

CCc1ccccc1N1CC(CC(=O)Oc2ccc(CNC(=O)OC(C)(C)C)cc2)N(C(N)=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
NAMPT P43490 2/20 0.37
AKT1 P31749 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
KCNA5 P22460 1/20 0.34
BRD4 O60885 2/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CREBBP Q92793 1/20 0.34
CCKBR P32239 1/20 0.33
CTSK P43235 1/20 0.33
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8519377 0.92 BRD4 (0.39) HDAC1AKT1PDCD1CD274KCNA5
SCHEMBL8139001 0.67 L3MBTL1 (0.49) HDAC1NAMPTALDH1A1
SCHEMBL7394047 0.67 NAMPT (0.49) NAMPTITGB3ITGAVSCN9APDCD1
SCHEMBL28619767 0.66 HDAC1 (0.50) HDAC1NAMPT
SCHEMBL7551243 0.65 L3MBTL1 (0.51) HDAC1NAMPTHDAC10HDAC6LMNA
SCHEMBL16192946 0.64 NPC1 (0.58) HDAC1NAMPTHDAC10HDAC6CTSK
SCHEMBL31609036 0.64 NAMPT (0.52) HDAC1NAMPTHDAC10HDAC6POLB
SCHEMBL8372079 0.62 L3MBTL1 (0.56) HDAC1NAMPTHDAC10HDAC6CTSK
SCHEMBL3180689 0.62 L3MBTL1 (0.61) HDAC1NAMPTHDAC10HDAC6CTSK
SCHEMBL21996778 0.62 POLB (0.51) HDAC1NAMPTAKT1PDCD1CD274

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