SCHEMBL11075651

SCHEMBL11075651

C[C@H](C[C@@H](CCc1ccccc1)C(=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 4/20 1.00

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
SCHEMBL11073994 0.89 ACE (0.80) ACE
SCHEMBL11068130 0.85 ACE (0.73) ACE
SCHEMBL7350842 0.85 ACE (0.73) ACE
SCHEMBL828672 0.84 ACE (0.75) ACE
SCHEMBL11196761 0.84 ACE (0.75) ACE
Water SCHEMBL11075523 0.83 ACE (0.73) ACE
SCHEMBL11075736 0.82 ACE (0.69) ACE
SCHEMBL11075923 0.81 ACE (0.69) ACE
SCHEMBL10743503 0.81 ACE (0.68) ACE
SCHEMBL10735628 0.80 ACE (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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