SCHEMBL7109965

SCHEMBL7109965

O=C(O)CCc1ccc(/C=C\COC(=O)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.45
KEAP1 Q14145 1/20 0.44
FFAR4 Q5NUL3 4/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 2/20 0.41
SRD5A2 P31213 1/20 0.39
PPARG P37231 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
SCHEMBL7653702 0.87 CYP4F2 (0.41) FFAR1KEAP1
SCHEMBL7107398 0.87 CYP4F2 (0.41) FFAR1KEAP1
Tert-Butylamine SCHEMBL7657269 0.81 CYP4F2 (0.39) FFAR1KEAP1FFAR4
Tert-Butylamine SCHEMBL7657274 0.81 CYP4F2 (0.39) FFAR1KEAP1FFAR4
SCHEMBL7657160 0.80 HDAC3 (0.43) FFAR1S1PR1S1PR3
SCHEMBL7111901 0.80 HDAC3 (0.43) FFAR1S1PR1S1PR3
SCHEMBL7106873 0.77 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL7107759 0.75 MMP1 (0.47)
Tert-Butylamine SCHEMBL7657275 0.75 HDAC3 (0.39) FFAR1S1PR1
SCHEMBL7111045 0.74 PPARA (0.50) FFAR1PPARG

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-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed