SCHEMBL28005276

SCHEMBL28005276

COCCN1C=CN(C)C1.COCCOCCOCCOCCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
DGAT1 O75907 4/20 0.33
KDM4E B2RXH2 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
SCHEMBL28005261 1.00 ALDH1A1 (0.34) ALDH1A1DGAT1KDM4E
SCHEMBL28005265 0.93 ALDH1A1 (0.32) ALDH1A1DGAT1
SCHEMBL28005271 0.92 DGAT1 (0.31) ALDH1A1DGAT1
SCHEMBL28005626 0.92 DGAT1 (0.31) ALDH1A1DGAT1
SCHEMBL28005250 0.92 ALDH1A1 (0.33) ALDH1A1DGAT1
SCHEMBL28005382 0.92 ALDH1A1 (0.33) ALDH1A1DGAT1
SCHEMBL28005316 0.90 ALDH1A1 (0.33) ALDH1A1DGAT1
SCHEMBL28005640 0.90 ALDH1A1 (0.33) ALDH1A1DGAT1
SCHEMBL28005692 0.89 ALDH1A1 (0.34) ALDH1A1DGAT1
SCHEMBL28005605 0.89 ALDH1A1 (0.34) ALDH1A1DGAT1

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-104837801-A Onium salt, liquid composition containing onium salt and cellulose, and cellulose recovery method KOEI CHEMICAL CO 2015-08-12 CN disclosed