SCHEMBL5045341

SCHEMBL5045341

CCCCCOc1ccc(C#Cc2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
PLA2G4B P0C869 1/20 0.44
ACACB O00763 1/20 0.43
PTPN1 P18031 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL5048701 0.91 S1PR4 (0.49) PPARAPPARGPLA2G4BS1PR4S1PR1
SCHEMBL4670156 0.88 PTPN11 (0.45)
SCHEMBL1851802 0.85 PTGES (0.44) PPARGACACBS1PR1S1PR5
SCHEMBL5045150 0.84 FFAR1 (0.47) ACACB
SCHEMBL1853816 0.84 PTGES (0.43) PPARGPLA2G4BACACBS1PR1S1PR3
SCHEMBL4672605 0.84 FFAR1 (0.56)
SCHEMBL1855304 0.81 ACACB (0.42) ACACB
SCHEMBL1855943 0.80 ACACB (0.42) PLA2G4BACACB
SCHEMBL1851797 0.79 ALOX5 (0.43) PPARAPPARGPLA2G4BACACBS1PR4
SCHEMBL1855944 0.78 ACACB (0.40) PPARAPPARGPLA2G4BACACB

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