SCHEMBL7986917

SCHEMBL7986917

CC(=O)NO[C@H]1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
EPHX2 P34913 1/20 0.37
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
TGFBR1 P36897 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A3 Q01959 6/20 0.34
IDO1 P14902 1/20 0.32
P2RX3 P56373 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL1618268 1.00 CCNA2 (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL9176156 0.85 CCNA2 (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8188002 0.83 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL29102259 0.83 MEN1 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13294275 0.82 CCNA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL19161112 0.81 HPGD (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL30940157 0.81 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL3612332 0.80 GAA (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL25309750 0.78 CCNA2 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL17503328 0.78 EPHX2 (0.36) 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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed