SCHEMBL28089681

SCHEMBL28089681

CCCCCCCCCCCCC(CCCC(C)CCCCCC(C)CC)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.62
CA2 P00918 2/20 0.55
MAPK1 P28482 1/20 0.55
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
GPR84 Q9NQS5 6/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CHRM1 P11229 1/20 0.47
AKR1A1 P14550 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL346624 0.96 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL27716926 0.96 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL29124980 0.96 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL346871 0.96 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL367223 0.96 ACE2 (0.61) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL2224408 0.94 ACE2 (0.69) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL2226046 0.94 ACE2 (0.69) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL2223770 0.94 ACE2 (0.69) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL29125000 0.93 ACE2 (0.71) ACE2CA2MAPK1GRIK1GRIK2
SCHEMBL2223259 0.93 ACE2 (0.71) ACE2CA2MAPK1GRIK1GRIK2

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-105765042-A Use of polyalkylene glycol esters in lubricating oil compositions 巴斯夫欧洲公司 2016-07-13 CN disclosed