SCHEMBL5048701

SCHEMBL5048701

CCCCCOc1ccc(CCc2ccc(CN(CC(=O)O)Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR5 Q9H228 1/20 0.49
PPARA Q07869 5/20 0.48
PPARG P37231 3/20 0.48
PTGES O14684 2/20 0.48
ALOX5 P09917 2/20 0.48
PPARD Q03181 1/20 0.46
PLA2G4B P0C869 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PSEN1 P49768 1/20 0.45

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
SCHEMBL5045341 0.91 PPARA (0.44) S1PR4S1PR1S1PR3S1PR5PPARA
SCHEMBL5044116 0.84 FFAR1 (0.43) MEN1KMT2AL3MBTL1
SCHEMBL1859862 0.84 PTGES (0.50) S1PR4S1PR1S1PR3S1PR5PPARA
SCHEMBL4316069 0.83 PTGES (0.49) S1PR4S1PR1S1PR3S1PR5PPARA
SCHEMBL4670156 0.83 PTPN11 (0.45) PTGES
SCHEMBL1856325 0.80 TP53 (0.48) S1PR1S1PR3S1PR5PPARGPTGES
SCHEMBL5045150 0.79 FFAR1 (0.47) PTGES
SCHEMBL2475473 0.78 LSS (0.48) MEN1KMT2APSEN1
SCHEMBL4672605 0.77 FFAR1 (0.56) PTGES
SCHEMBL1851802 0.76 PTGES (0.44) S1PR1S1PR5PPARGPTGESALOX5

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 disclosed