SCHEMBL7416680

SCHEMBL7416680

NCCC(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX3 P56373 1/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
TGFBR1 P36897 1/20 0.33
SMYD3 Q9H7B4 3/20 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
SCHEMBL13771349 0.89 TP53 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13771143 0.88 TP53 (0.42) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL13771295 0.88 TP53 (0.42) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL1491596 0.88 TP53 (0.42) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL28554049 0.86 CCNA2 (0.36) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL31051156 0.86 ALDH1A1 (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL20764812 0.86 ALDH1A1 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL16569372 0.86 ALDH1A1 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL30940157 0.85 CCNA2 (0.38) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL31051142 0.84 SMN1; SMN2 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171422-A1 MMP INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP disclosed
WO-2000063165-A1 MMP INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-26 WO disclosed