SCHEMBL5045150

SCHEMBL5045150

CCCc1ccc(C#Cc2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.47
PTGES O14684 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
PSMB5 P28074 1/20 0.41
RORC P51449 1/20 0.41
ACACB O00763 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39

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
SCHEMBL4670156 0.92 PTPN11 (0.45) FFAR1PTGESPTGDR2RORCFFAR4
SCHEMBL5044116 0.91 FFAR1 (0.43) FFAR1PSMB5RORC
SCHEMBL4671672 0.85 FFAR1 (0.38) FFAR1PTGESPTGDR2PSMB5RORC
SCHEMBL5045341 0.84 PPARA (0.44) ACACB
SCHEMBL1854444 0.83 PTGES (0.48) FFAR1PTGESPTGDR2PSMB5ACACB
SCHEMBL4672605 0.83 FFAR1 (0.56) FFAR1PTGESPTGDR2RORCFFAR4
SCHEMBL2475473 0.81 LSS (0.48) FFAR1
SCHEMBL9185806 0.81 TAAR1 (0.50) FFAR1PTGDR2PSMB5ACACB
SCHEMBL5048701 0.79 S1PR4 (0.49) PTGES
SCHEMBL31035881 0.79 LSS (0.45)

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed