SCHEMBL9726906

SCHEMBL9726906

CCCCCCCC(C)CCCCC(CCC(C)CCC)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.68
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA2 P00918 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MAPK1 P28482 1/20 0.50
GPR84 Q9NQS5 7/20 0.48

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
SCHEMBL10421826 0.98 ACE2 (0.65) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL29125022 0.96 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL347173 0.96 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL29124944 0.96 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5878820 0.95 ACE2 (0.70) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5878926 0.95 ACE2 (0.70) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5710432 0.94 ACE2 (0.58) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5879041 0.93 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL5878854 0.93 ACE2 (0.67) ACE2GRIK1GRIK2CHRM1AKR1A1
SCHEMBL2223259 0.93 ACE2 (0.71) ACE2GRIK1GRIK2CHRM1AKR1A1

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
US-5080889-A Oil, oxidation resistance, stability KAO CORPORATION (JP) 1992-01-14 US disclosed