SCHEMBL4590212

SCHEMBL4590212

NC(=O)C1CCCCC1=C=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 14/20 0.35
SIRT2 Q8IXJ6 6/20 0.35
MCL1 Q07820 1/20 0.33
EPHX1 P07099 1/20 0.32
SIRT3 Q9NTG7 2/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL2300714 0.82 KDM4E (0.39) MCL1KDM4EPOLBL3MBTL1
SCHEMBL27766757 0.77 CES2 (0.37) MCL1
SCHEMBL2305287 0.76 MAPK1 (0.36) MCL1KDM4EPOLBHSD17B10
SCHEMBL2302542 0.75 SIRT1 (0.33) SIRT1MCL1KDM4EPOLBL3MBTL1
SCHEMBL9931272 0.72 MCL1 (0.53) SIRT1SIRT2MCL1EPHX1RECQL
SCHEMBL1792301 0.72 MCL1 (0.53) SIRT1SIRT2MCL1EPHX1RECQL
SCHEMBL7499527 0.72 SIRT1 (0.38) SIRT1SIRT2MCL1EPHX1SIRT3
SCHEMBL3968327 0.72 MCL1 (0.53) SIRT1SIRT2MCL1EPHX1RECQL
SCHEMBL17301598 0.71 MCL1 (0.52) SIRT1SIRT2MCL1EPHX1RECQL
SCHEMBL21477523 0.71 MCL1 (0.52) SIRT1SIRT2MCL1EPHX1RECQL

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-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed