SCHEMBL28840185

SCHEMBL28840185

CCCCC1(N=C=O)CCCC(N=C=O)C1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 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
SCHEMBL3416401 0.85 ALDH1A1 (0.41) ALDH1A1CYP3A4
SCHEMBL28449722 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11042954 0.76 CETP (0.31)
SCHEMBL3104143 0.74 CYP1A2 (0.31)
SCHEMBL16628466 0.72 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL9800899 0.72 SIRT2 (0.33)
SCHEMBL11119933 0.72 SIRT2 (0.33)
SCHEMBL106677 0.70 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL28430945 0.70 CETP (0.33)
SCHEMBL8520016 0.69 ALDH1A1 (0.44) ALDH1A1CYP3A4

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-106459694-A Adhesive tape for protecting surfaces 德莎欧洲公司 2017-02-22 CN disclosed