SCHEMBL11782858

SCHEMBL11782858

CCCCCCCCCCCCCCCCCCCCCCCC(O)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.50
FAAH O00519 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
PRKCA P17252 2/20 0.44

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
SCHEMBL8666568 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL11782957 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL11782571 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL11785027 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL11784604 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL6468137 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL11778914 1.00 GPR84 (0.50) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL9250546 0.98 GPR84 (0.47) GPR84FFAR1FAAHFFAR4ZDHHC7
Methoxymethane SCHEMBL3379495 0.94 GPR84 (0.44) GPR84FFAR1FAAHFFAR4ZDHHC7
SCHEMBL861395 0.91 ALDH1A1 (0.43) GPR84FFAR1FAAHPRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3993605-A SURFACTANT OF VICINAL ALKANEDIOL ESTERS CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT 1976-11-23 US claimed
US-3993605-A SURFACTANT OF VICINAL ALKANEDIOL ESTERS CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT 1976-11-23 US disclosed