SCHEMBL8208596

SCHEMBL8208596

CCCCCCCCCCC(SCCSC(CCCCCCCCCC)C(=O)O)C(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 2/20 0.52
MAPT P10636 1/20 0.50
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
HSD17B10 Q99714 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
FDPS P14324 3/20 0.42
EPHX1 P07099 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
SCHEMBL17244841 0.98 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8856116 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8320118 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11344216 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8856129 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8856785 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8856265 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL9108501 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL22612323 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL5698793 0.92 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD

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-6121222-A USEFUL AS EMULSIFIERS, DETERGENTS, DISPERSANTS, HYDROTROPES, WETTING AGENTS, CORROSION INHIBITORS AND SOLUBILIZING AGENTS RHODIA INC. (US) 2000-09-19 US disclosed