SCHEMBL2496561

SCHEMBL2496561

O=C1CCC(C2=CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
ESR2 Q92731 2/20 0.39
KDM1A O60341 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HIF1A Q16665 1/20 0.33
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL29142093 0.94 KDM1A (0.44) MAPTESR2KDM1APDE4APDE4B
Ethylene Glycol SCHEMBL29142091 0.85 ESR2 (0.40) MAPTESR2KDM1APDE4APDE4B
SCHEMBL8368356 0.84
SCHEMBL1234810 0.81 MAPT (0.42) MAPTKDM1AHIF1A
SCHEMBL28927594 0.79 MAPT (0.41) MAPTKDM1AHIF1A
SCHEMBL7144001 0.79 MAPT (0.41) MAPTKDM1AHIF1A
SCHEMBL1053967 0.79 MAPT (0.41) MAPTKDM1AHIF1A
SCHEMBL2208026 0.79 MAPT (0.43) MAPTESR2KDM1APDE4APDE4B
SCHEMBL30152429 0.79 MAPT (0.43) MAPTESR2KDM1APDE4APDE4B
SCHEMBL9278172 0.78 KDM1A (0.50) MAPTKDM1ATRIM24TRIM33ALDH1A1

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
JP-2011207775-A 4-(CYCLOPENTENYL)CYCLOHEXENONE DERIVATIVE AND METHOD FOR PRODUCING THE SAME SAGAMI CHEMICAL RESEARCH INSTITUTE 2011-10-20 JP disclosed
JP-2011207785-A 4-CYCLOPENTYLCYCLOHEXANONE DERIVATIVE AND METHOD FOR PRODUCING THE SAME SAGAMI CHEMICAL RESEARCH INSTITUTE 2011-10-20 JP disclosed