SCHEMBL7411014

SCHEMBL7411014

CCC[C@@H](O)[C@@H](CC(C)C)C(=O)NOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MMP1 P03956 6/20 0.33
MMP3 P08254 3/20 0.33
REN P00797 1/20 0.33
BCHE P06276 1/20 0.32
MMP2 P08253 3/20 0.32
MMP8 P22894 2/20 0.32
MMP7 P09237 1/20 0.32
TGFBR1 P36897 1/20 0.31
METAP2 P50579 1/20 0.31
EPHX2 P34913 1/20 0.31
ADAM17 P78536 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL7383416 0.85 REN (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7383043 0.84 MMP1 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL23911882 0.80 CCNA2 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7478743 0.78 MMP2 (0.39) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7380889 0.77 MEN1 (0.32) MMP1MMP3BCHEALDH1A1HPGD
SCHEMBL7410645 0.77 MEN1 (0.32) MMP1MMP3BCHEALDH1A1HPGD
SCHEMBL7380103 0.77 MEN1 (0.32) MMP1MMP3BCHEALDH1A1HPGD
SCHEMBL19161112 0.75 HPGD (0.37) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL4635116 0.75 MME (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7389199 0.74 CCNA2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191150-B1 METALLOPROTEASE INHIBITOR GLAXO WELLCOME INC. 2001-02-20 US disclosed
WO-2000012466-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed