SCHEMBL1551361

SCHEMBL1551361

CCOC(=O)CCc1ccc(C#Cc2ccccc2OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.73
FFAR4 Q5NUL3 2/20 0.53
CHRM2 P08172 1/20 0.53
S1PR1 P21453 1/20 0.53
FPR1 P21462 1/20 0.53
FPR3 P25089 1/20 0.53
GPR183 P32249 1/20 0.53
APLNR P35414 1/20 0.53
GPR65 Q8IYL9 1/20 0.53
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
ALOX5 P09917 1/20 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
SCHEMBL1551263 0.89 FFAR1 (0.79) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL12087485 0.85 FFAR1 (1.00) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL1550693 0.84 FFAR1 (0.68) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL1550423 0.83 FFAR1 (0.69) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8455468 0.80 FFAR1 (0.68) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19821418 0.79 FFAR1 (0.64) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL457584 0.78 ACACB (0.60) FFAR1CYP4F2CYP4A11
SCHEMBL12984047 0.77 FFAR1 (0.71) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL1551052 0.77 FFAR1 (0.73) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8454687 0.77 FFAR1 (0.63) FFAR1FFAR4CHRM2S1PR1FPR1

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
EP-2313360-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES Syddansk Universitet (DK) 2011-04-27 EP disclosed
WO-2010012650-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET (DK) 2010-02-04 WO disclosed