SCHEMBL9178204

SCHEMBL9178204

CN(OC1CCCCO1)C(=O)NOC1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
EPHX2 P34913 1/20 0.34
TGFBR1 P36897 1/20 0.34
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A3 Q01959 2/20 0.30

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
SCHEMBL7986917 0.77 CCNA2 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL1618268 0.77 CCNA2 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL9176156 0.77 CCNA2 (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL29102259 0.75 MEN1 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8188002 0.75 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL19161112 0.73 HPGD (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL30940157 0.73 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL3612332 0.72 GAA (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL21094462 0.71 CCNA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL25309750 0.71 CCNA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1

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-5468760-A Treating atherosclerosis, inflammation, and asthma AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-21 US disclosed