SCHEMBL28005692

SCHEMBL28005692

CCCCN1C=CN(C)C1.COCCOCCOCCOCCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
PLA2G4B P0C869 1/20 0.34
DGAT1 O75907 4/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2B P18089 1/20 0.33
OPRD1 P41143 1/20 0.33
SCN5A Q14524 1/20 0.33
AKR1B1 P15121 1/20 0.31
GPR84 Q9NQS5 7/20 0.30
PPARG P37231 6/20 0.30
PPARD Q03181 6/20 0.30
PPARA Q07869 6/20 0.30
HDAC11 Q96DB2 5/20 0.30
TSHR P16473 4/20 0.30
TLR2 O60603 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
FABP4 P15090 2/20 0.30
PTPN1 P18031 2/20 0.30
SLC22A6 Q4U2R8 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
SCHEMBL28005605 1.00 ALDH1A1 (0.34) ALDH1A1PLA2G4BDGAT1ABCB11CYP3A4
SCHEMBL28005382 0.92 ALDH1A1 (0.33) ALDH1A1PLA2G4BDGAT1
SCHEMBL28005250 0.92 ALDH1A1 (0.33) ALDH1A1PLA2G4BDGAT1
SCHEMBL28005623 0.91 PLA2G4B (0.34) ALDH1A1PLA2G4BAKR1B1GPR84PPARG
SCHEMBL28005261 0.89 ALDH1A1 (0.34) ALDH1A1DGAT1
SCHEMBL28005276 0.89 ALDH1A1 (0.34) ALDH1A1DGAT1
SCHEMBL28005640 0.88 ALDH1A1 (0.33) ALDH1A1DGAT1
SCHEMBL28005316 0.88 ALDH1A1 (0.33) ALDH1A1DGAT1
SCHEMBL28005271 0.87 DGAT1 (0.31) ALDH1A1DGAT1
SCHEMBL28005626 0.87 DGAT1 (0.31) 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