SCHEMBL7349152

SCHEMBL7349152

O=C(O)O[C@H]1Cc2ccccc2N1C(=O)CC[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
TBXAS1 P24557 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7358061 1.00 ACE (0.52) ACETBXAS1ALDH1A1
SCHEMBL11075923 0.84 ACE (0.69) ACETBXAS1
SCHEMBL7350842 0.82 ACE (0.73) ACE
SCHEMBL11165043 0.77 ACE (0.55) ACETBXAS1
SCHEMBL7321116 0.77 CYP1A2 (0.43) ALDH1A1
SCHEMBL11078981 0.76 ACE (0.52) ACETBXAS1
SCHEMBL7356184 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7363795 0.76 ACE (0.57) ACE
SCHEMBL11072970 0.74 ACE (0.59) ACE
SCHEMBL11072211 0.73 ACE (0.51) ACE

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-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed