SCHEMBL28113012

SCHEMBL28113012

CCCCCC(CC#CI)OC(=O)N(N)N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LAP3 P28838 2/20 0.33
MAPT P10636 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TP53 P04637 1/20 0.33
OPRM1 P35372 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
SPHK1 Q9NYA1 1/20 0.31
FFAR1 O14842 1/20 0.31
CA1 P00915 1/20 0.31
FAAH O00519 1/20 0.31
S1PR2 O95136 3/20 0.30
S1PR1 P21453 3/20 0.30
S1PR3 Q99500 3/20 0.30
S1PR4 O95977 2/20 0.30
DPP7 Q9UHL4 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
SCHEMBL8463146 0.85 MAPT (0.33) GRIK1GRIK2LAP3MAPTSLC1A2
SCHEMBL228836 0.73 LMNA (0.31) MAPT
SCHEMBL5701793 0.71 CHRM1 (0.33)
SCHEMBL8688629 0.65 PRKCA (0.41) LAP3MAPTZDHHC7MAPK1GPR84
SCHEMBL9395360 0.65 MAPK1 (0.60) MAPTTP53MAPK1
SCHEMBL9396338 0.65 MAPK1 (0.60) MAPTTP53MAPK1
SCHEMBL9397965 0.65 MAPK1 (0.60) MAPTTP53MAPK1
SCHEMBL9397988 0.65 MAPK1 (0.60) MAPTTP53MAPK1
SCHEMBL9395675 0.65 MAPK1 (0.60) MAPTTP53MAPK1
SCHEMBL9396325 0.65 MAPK1 (0.60) MAPTTP53MAPK1

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-106163282-A biocide 朗盛德国有限责任公司 2016-11-23 CN claimed