SCHEMBL2496557

SCHEMBL2496557

O=C1C=CC(C2=CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
KDM1A O60341 1/20 0.32
MAPT P10636 1/20 0.31
HIF1A Q16665 1/20 0.30
TLR4 O00206 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
SCHEMBL868982 0.72 KDM1A (0.36) KDM1A
SCHEMBL17634062 0.66 KDM1A (0.33) KDM1A
SCHEMBL217280 0.65 KDM1A (0.42) KDM1A
SCHEMBL1264106 0.65 NFKB1 (0.38) MAPT
SCHEMBL25381783 0.64 TLR4 (0.33) TLR4
SCHEMBL2496561 0.64 MAPT (0.46) ALDH1A1KDM1AMAPTHIF1A
SCHEMBL1412748 0.64 KDM1A (0.41) KDM1A
SCHEMBL8368356 0.64
SCHEMBL13739295 0.63 MAPT (0.35) ALDH1A1MAPT
SCHEMBL1964176 0.63 TLR4 (0.48) KDM1AMAPTHIF1ATLR4

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