SCHEMBL7312474

SCHEMBL7312474

COC(=O)CCC(C)C(=O)N1c2ccccc2C[C@@H]1OC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.48

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
SCHEMBL7322632 0.90 ACE (0.51) ACE
SCHEMBL11070879 0.84 ACE (0.69) ACE
SCHEMBL7322580 0.83 ACE (0.51) ACE
Water SCHEMBL7320192 0.82 ACE (0.50) ACE
SCHEMBL10645001 0.80 ACE (0.53) ACE
SCHEMBL7316561 0.80 ACE (0.43) ACE
SCHEMBL7366208 0.80 ACE (0.46) ACE
SCHEMBL10647022 0.79 ACE (0.47) ACE
SCHEMBL7350842 0.78 ACE (0.73) ACE
SCHEMBL7359614 0.78 ACE (0.44) 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