SCHEMBL29280853

SCHEMBL29280853

CN(C=O)C1CCC(CN)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 7/20 0.54
ADH1C P00326 6/20 0.54
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
NCF1 P14598 1/20 0.35
ADH4 P08319 2/20 0.32

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
SCHEMBL308431 0.82
Ethyne SCHEMBL20506470 0.77
SCHEMBL8899930 0.75 NCF1 (0.42) PLGPLATLMNANCF1
SCHEMBL6654835 0.75 NCF1 (0.42) PLGPLATLMNANCF1
SCHEMBL5123903 0.75 ADH1C (0.58) ADH1AADH1CPLGPLATLMNA
SCHEMBL967159 0.74
Hydrochloric Acid SCHEMBL5128398 0.73 ADH1B (0.56) ADH1AADH1CPLGPLATLMNA
Bicarbonate SCHEMBL10721946 0.73 ADH1A (0.62) ADH1AADH1CADH4
SCHEMBL13744423 0.73 ADH1A (0.62) ADH1AADH1CADH4
SCHEMBL772996 0.72

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
CN-117815216-A Anti-photoaging and/or dermis pigmentation inhibitor 株式会社资生堂 2024-04-05 CN disclosed