SCHEMBL28635018

SCHEMBL28635018

CCCCCCCCOC(CCCCCCC=COCOC)OCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 1/20 0.39
LPAR1 Q92633 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 1/20 0.35
ASAH2 Q9NR71 1/20 0.33

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
SCHEMBL28646482 1.00 CNR1 (0.39) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL28938793 1.00 CNR1 (0.39) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL28727756 1.00 CNR1 (0.39) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL28642590 1.00 CNR1 (0.39) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL28729470 1.00 CNR1 (0.39) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL31106255 0.96 CNR1 (0.34) CNR1ALDH1A1CNR2ASAH2
SCHEMBL31106253 0.96 CNR1 (0.34) CNR1ALDH1A1CNR2ASAH2
SCHEMBL23853162 0.91 ALDH1A1 (0.35) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL23852033 0.91 ALDH1A1 (0.35) CNR1ALDH1A1CNR2LPAR1LPAR3
SCHEMBL23851900 0.91 ALDH1A1 (0.35) CNR1ALDH1A1CNR2LPAR1LPAR3

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-113443971-A Method for producing alkynylalkoxymethyl ether compound and method for producing conjugated diene compound therefrom 信越化学工业株式会社 2021-09-28 CN disclosed