SCHEMBL7112435

SCHEMBL7112435

CC(=O)Oc1cccc(/C=C/COC(=O)N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
EPOR P19235 4/20 0.48
ALOX5 P09917 2/20 0.47
ALOX5AP P20292 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL7105131 1.00 MAOB (0.51) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7107402 0.89 MAOB (0.49) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7111877 0.89 MAOB (0.49) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7106778 0.87 MAOB (0.50) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7111903 0.87 MAOB (0.47) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7111050 0.85 MAOB (0.46) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7105126 0.84 EPOR (0.46) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7112433 0.84 EPOR (0.46) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7105134 0.84 EPOR (0.46) MAOBEPORALOX5ALOX5APPTGS1
SCHEMBL7107759 0.83 MMP1 (0.47) MAOBEPORMMP1MMP2MMP9

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