SCHEMBL8519377

SCHEMBL8519377

CCc1ccccc1N1CC(CC(=O)Oc2cccc(CNC(=O)OC(C)(C)C)c2)N(C(N)=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
CREBBP Q92793 1/20 0.39
CCKBR P32239 1/20 0.38
CD274 Q9NZQ7 2/20 0.37
PDCD1 Q15116 1/20 0.37
FBP1 P09467 1/20 0.34
THRB P10828 1/20 0.34
DRD2 P14416 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
GLS O94925 3/20 0.33
KCNA5 P22460 1/20 0.33
AKT1 P31749 1/20 0.33
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 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
SCHEMBL8518281 0.92 HDAC1 (0.39) BRD4CREBBPCCKBRCD274PDCD1
SCHEMBL8518884 0.72 NAMPT (0.42) CD274PDCD1DRD2AKT1POLB
SCHEMBL28246608 0.68 CYP3A4 (0.49) BRD4CREBBPGLSLMNA
SCHEMBL7400533 0.67 CCKBR (0.49) BRD4CREBBPCCKBRCD274PDCD1
SCHEMBL31608963 0.64 KMT2A (0.51) BRD4CREBBPCCKBRCD274PDCD1
SCHEMBL3418637 0.64 ALDH1A1 (0.62) POLBKMT2ALMNA
SCHEMBL13981921 0.63 GLS (0.55) BRD4CREBBPBRD9BAZ2BBAZ2A
SCHEMBL21481482 0.63 GLS (0.46) BRD4CREBBPGLSHDAC1
SCHEMBL7017291 0.63 GLS (0.46) BRD4GLS
SCHEMBL15151049 0.63 CTSK (0.45) BRD4GLS

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