SCHEMBL8563828

SCHEMBL8563828

CCCCCCCCCCCCCCCCC(CCCCCCCC)C(=O)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
PDF Q9HBH1 1/20 0.44
MAPK1 P28482 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL19608616 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL1042434 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL7777870 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL23879493 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8567310 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL24667473 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8563312 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL9750430 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8558195 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL8561176 1.00 CA2 (0.53) CA2GRIK1GRIK2GPR84FFAR1

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-5720946-A SYNERGISTIC EFFECT; DANDRUFF; PREVENTION ITCHING SHISEIDO COMPANY, LTD. (JP) 1998-02-24 US claimed