SCHEMBL8699283

SCHEMBL8699283

Cc1c(CCCC(N)=O)cccc1-c1ccc(-c2ccccc2)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.44
PDCD1 Q15116 6/20 0.44
EPHX1 P07099 2/20 0.42
KCNA5 P22460 1/20 0.41
HDAC1 Q13547 1/20 0.38

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
SCHEMBL8696572 0.81 CD274 (0.46) CD274PDCD1
SCHEMBL8696466 0.78 CD274 (0.55) CD274PDCD1EPHX1
SCHEMBL8695760 0.75 ALDH1A1 (0.43) CD274PDCD1HDAC1
SCHEMBL25470419 0.74 KCNA5 (0.51) CD274PDCD1KCNA5HDAC1
SCHEMBL8700812 0.74 S1PR1 (0.45) CD274PDCD1
SCHEMBL31710569 0.73 KCNA5 (0.50) CD274PDCD1KCNA5HDAC1
SCHEMBL7710607 0.73 KCNA5 (0.52) CD274PDCD1EPHX1KCNA5HDAC1
SCHEMBL4699620 0.73 BRD4 (0.52) CD274PDCD1EPHX1KCNA5HDAC1
SCHEMBL8699284 0.72 CA1 (0.45) KCNA5HDAC1
SCHEMBL8699097 0.72 CD274 (0.57) CD274PDCD1EPHX1

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-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed