SCHEMBL7106873

SCHEMBL7106873

CC(CC(=O)O)c1ccc(C=CCOC(=O)N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
TRPM8 Q7Z2W7 5/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CACNA1B Q00975 1/20 0.38
PTGIR P43119 2/20 0.36
PTGDR Q13258 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
EPOR P19235 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PAM P19021 1/20 0.35
S1PR5 Q9H228 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL7109965 0.77 FFAR1 (0.45) FFAR1FFAR4
SCHEMBL7107404 0.76 EPOR (0.47) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL7109248 0.76 EPOR (0.47) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL7107759 0.73 MMP1 (0.47) TRPM8MMP1MMP2MMP9MMP12
SCHEMBL7111904 0.72 EPOR (0.46) CTDSP1PTGIRMMP1MMP2MMP9
Tert-Butylamine SCHEMBL7109741 0.72 EPOR (0.43) CACNA1BEPOR
SCHEMBL9718462 0.71 FFAR1 (0.61) FFAR1FFAR4LTB4RLTB4R2
SCHEMBL7105131 0.70 MAOB (0.51) MMP1MMP2MMP9MMP12EPOR
SCHEMBL7105126 0.70 EPOR (0.46) PTGIRPTGDREPOR
SCHEMBL7112435 0.70 MAOB (0.51) MMP1MMP2MMP9MMP12EPOR

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