SCHEMBL4744958

SCHEMBL4744958

CCCCCCCCC(O)CC(=O)OBr

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.61
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NFKB1 P19838 1/20 0.44
ZDHHC7 Q9NXF8 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
DAGLA Q9Y4D2 1/20 0.42
FAAH O00519 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL27959780 0.98 GPR84 (0.58) GPR84FFAR1FFAR4NFKB1ZDHHC7
SCHEMBL28811135 0.92 GPR84 (0.50) GPR84FFAR1FFAR4NFKB1
SCHEMBL16280550 0.85 GPR84 (0.66) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL3374142 0.85 GPR84 (0.66) GPR84FFAR1FFAR4NFKB1FAAH
SCHEMBL28046800 0.84 GPR84 (0.39) GPR84FFAR1FFAR4NFKB1
3-Hydroxyhexadecanoic Acid Methyl Ester SCHEMBL8177768 0.83 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1ZDHHC7
SCHEMBL1271079 0.83 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1ZDHHC7
SCHEMBL7603422 0.83 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1ZDHHC7
SCHEMBL7603091 0.83 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1ZDHHC7
SCHEMBL8413382 0.83 GPR84 (0.63) GPR84FFAR1FFAR4NFKB1ZDHHC7

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
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO claimed
WO-2008113190-A1 METHOD FOR THE PRODUCTION OF R-HYDROXYCARBOXYLIC ACIDS EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2008-09-25 WO disclosed