SCHEMBL28005357

SCHEMBL28005357

CCOCCN1C=CN(C)C1.CCOCCOCCC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28005626 0.95 DGAT1 (0.31) ALDH1A1
SCHEMBL28005271 0.95 DGAT1 (0.31) ALDH1A1
SCHEMBL28005265 0.93 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28005257 0.93 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL28005256 0.91 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL28005623 0.91 PLA2G4B (0.34) ALDH1A1TSHRKDM4ETDP1
SCHEMBL28005313 0.89 ALDH1A1 (0.32) ALDH1A1TSHRKDM4ECYP2D6CYP2C19
SCHEMBL28005276 0.86 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL28005261 0.86 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL28005356 0.84 DGAT1 (0.31) ALDH1A1

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