SCHEMBL7363795

SCHEMBL7363795

C[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N1c2ccccc2C[C@@H]1OC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 15/20 0.57
ABCB11 O95342 1/20 0.49

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
SCHEMBL7392635 0.90 ACE (0.52) ACE
SCHEMBL7350842 0.81 ACE (0.73) ACE
SCHEMBL7328410 0.81 ACE (0.73) ACE
SCHEMBL7356416 0.78 PREP (0.49) ACE
SCHEMBL11050522 0.78 ACE (0.73) ACEABCB11
SCHEMBL11035895 0.78 ACE (0.73) ACEABCB11
SCHEMBL11049974 0.78 ACE (0.73) ACEABCB11
SCHEMBL11050512 0.78 ACE (0.73) ACEABCB11
SCHEMBL11049962 0.78 ACE (0.73) ACEABCB11
SCHEMBL9325016 0.76 ACE (0.77) ACEABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051301-A1 1-Carboxy-azaalkyl-indolin-2-carboxylic acids, process for preparing them, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-05-12 EP claimed
EP-0051301-A1 1-Carboxy-azaalkyl-indolin-2-carboxylic acids, process for preparing them, pharmaceutical compositions containing them and their therapeutical use CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed