SCHEMBL11070997

SCHEMBL11070997

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.75

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
SCHEMBL11080297 0.90 ACE (0.72) ACE
SCHEMBL11067085 0.89 ACE (0.63) ACE
SCHEMBL11070879 0.88 ACE (0.69) ACE
SCHEMBL11163054 0.88 ACE (0.76) ACE
SCHEMBL11159279 0.88 ACE (0.76) ACE
SCHEMBL11070147 0.86 ACE (0.66) ACE
SCHEMBL6054144 0.86 ACE (1.00) ACE
SCHEMBL7273177 0.86 ACE (1.00) ACE
SCHEMBL10920529 0.86 ACE (1.00) ACE
SCHEMBL10921959 0.86 ACE (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US claimed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US disclosed