SCHEMBL9235801

SCHEMBL9235801

CC(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.78
▸ ECE1 P42892 12/20 0.72
▸ ALOX15 P16050 1/20 0.69

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
SCHEMBL9235805 1.00 ACE (0.78) ACEECE1ALOX15
SCHEMBL29400177 1.00 ACE (0.78) ACEECE1ALOX15
SCHEMBL1228369 1.00 ACE (0.78) ACEECE1ALOX15
SCHEMBL2488765 1.00 ACE (0.78) ACEECE1ALOX15
SCHEMBL30051087 0.98 ACE (0.75) ACEECE1ALOX15
SCHEMBL30051627 0.95 ACE (0.72) ACEECE1ALOX15
SCHEMBL3497589 0.95 ACE (0.72) ACEECE1ALOX15
SCHEMBL4959992 0.93 ERAP2 (0.75) ACEECE1
SCHEMBL4959976 0.93 ERAP2 (0.75) ACEECE1
SCHEMBL30052301 0.93 ACE (0.69) ACEECE1ALOX15

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-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 — — EP disclosed
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