SCHEMBL7614068

SCHEMBL7614068

CC(=O)C(=O)C1CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
TLR4 O00206 5/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34

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
2-Acetylcyclopentanone SCHEMBL22289653 0.82
2-Acetylcyclopentanone SCHEMBL12565037 0.82
2-Acetylcyclopentanone SCHEMBL535830 0.82
SCHEMBL9547670 0.80 MCL1 (0.48) MCL1MAPK1CYP1A2RECQLCA1
SCHEMBL7614074 0.78 MAPK1 (0.45) MCL1MAPK1CYP1A2RECQLTLR4
SCHEMBL22020336 0.77
SCHEMBL1793810 0.77
SCHEMBL6353877 0.76
Ethane SCHEMBL4051846 0.76 MCL1 (0.48) MCL1MAPK1CYP1A2RECQLTLR4
SCHEMBL63339 0.76 MCL1 (0.53) MCL1MAPK1TLR4CA1CA2

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-6437127-B1 5,6-DIFLUORO-4-PHENOXYPYRIMIDINE REACTS WITH METHYL 1-METHOXYIMINO-1-(2-OXOCYCLOPENTAN-1-YL)-ACETATE TO FORM METHYL 1-METHOXYIMINO-1-(2-(5-FLUORO-6-PHENOXY-PYRIMID-4-YL)-PENTEN-1-YL)-ACETATE BAYER AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-6150374-A CYCLOALK-1-EN-1-YL OXIMES AND DERIVATIVES; NONPHYTOTOXIC; CONTROLLING CEREAL DISEASES E.G., AGAINST ERYSIPHE AND PSEUDOCERCOSPORELLA SPECIES; AND VITICULTURE, FRUIT-GROWING AND VEGETABLE-GROWING, E.G., AGAINST PLASMOPARA SPECIES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed