SCHEMBL7449407

SCHEMBL7449407

CC(C)(C)OC(=O)NN1CCCCCNC(=O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
CRBN Q96SW2 2/20 0.42
FKBP5 Q13451 1/20 0.42
OR51E2 Q9H255 1/20 0.36
LIPE Q05469 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
REN P00797 2/20 0.31
DDB1 Q16531 1/20 0.31
CTSL P07711 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HTT P42858 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
SCHEMBL7365934 0.81 LIPE (0.44) GAALIPEL3MBTL1CTSLHTT
SCHEMBL694641 0.81 LIPE (0.44) GAALIPEL3MBTL1CTSLHTT
SCHEMBL477283 0.80 LIPE (0.42) GAALIPEL3MBTL1CTSL
SCHEMBL27497088 0.79 FKBP5 (0.48) KDM4EGAAPOLBCRBNFKBP5
SCHEMBL1576452 0.76 CTSK (0.40) GAALIPEL3MBTL1CTSLNFKB1
SCHEMBL5651167 0.75 LIPE (0.39) GAALIPEL3MBTL1CTSLNFKB1
SCHEMBL21233487 0.74 HPGD (0.50) KDM4EGAAPOLBCRBNDDB1
SCHEMBL7449417 0.74 L3MBTL1 (0.37) KDM4EGAAPOLBL3MBTL1CTSL
SCHEMBL26266001 0.74 LIPE (0.42) GAALIPEL3MBTL1CTSLNFKB1
SCHEMBL7151133 0.73 GNAI3 (0.38) GAALIPEL3MBTL1CTSL

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-0552264-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP plc (GB) 1993-07-28 EP disclosed
WO-1992006966-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1992-04-30 WO disclosed