SCHEMBL4650133

SCHEMBL4650133

CCOC(=O)CCNS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA14 Q9ULX7 4/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CYP1A2 P05177 1/20 0.44
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA2 P00918 1/20 0.42
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TOP2A P11388 1/20 0.39
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL5726038 0.89 CYP1A2 (0.50) CA12CA14GAAMGAMSI
SCHEMBL1471514 0.85 CYP1A2 (0.47) CA12CA14GAAMGAMSI
SCHEMBL5404051 0.82 CA12 (0.47) CA12CA14GAAMGAMSI
SCHEMBL962074 0.82 CA12 (0.47) CA12CA14GAAMGAMSI
SCHEMBL20335051 0.81 CA12 (0.72) CA12CA14GAAMGAMSI
SCHEMBL27347606 0.79 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL10462212 0.79 CYP4F2 (0.60) CA12CA14CA7CA9ALDH1A1
SCHEMBL15958373 0.79 CA12 (0.39) CA12CA14CA7CA9CA2
SCHEMBL7398839 0.78 TSHR (0.49) CA12CA14GAACA7CA9
SCHEMBL14006162 0.77 CYP1A2 (0.39) GAAMGAMSIMGAM2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968949-A1 IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES Boehringer Ingelheim International GmbH (DE) 2008-09-17 EP disclosed
EP-1966171-A1 IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF Boehringer Ingelheim International GmbH (DE) 2008-09-10 EP disclosed
WO-2007071742-A1 IMPROVED PROCESS FOR THE PREPARATION OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES AND THE SALTS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO disclosed
WO-2007071743-A1 IMPROVED PROCESS FOR THE PREPARATION OF THE SALTS OF 4-(BENZIMIDAZOLYLMETHYLAMINO)-BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-28 WO disclosed