SCHEMBL7814933

SCHEMBL7814933

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

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.59
ACE P12821 3/20 0.59

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
SCHEMBL9409870 0.90 XIAP (0.56) XIAPACE
SCHEMBL16464700 0.90 XIAP (0.56) XIAPACE
SCHEMBL16465568 0.90 XIAP (0.56) XIAPACE
SCHEMBL9409863 0.90 XIAP (0.56) XIAPACE
SCHEMBL3729400 0.87 ACE (0.57) XIAPACE
SCHEMBL7269341 0.87 ACE (0.57) XIAPACE
SCHEMBL10292602 0.86 NOTUM (0.53) XIAP
SCHEMBL15765599 0.86 NOTUM (0.53) XIAP
SCHEMBL3265355 0.85 XIAP (0.52) XIAPACE
SCHEMBL3722659 0.84 XIAP (0.82) XIAPACE

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-1114822-A2 Indoles and tetrahydroisoquinolines containing alpha-keto oxadiazoles as serine protease inhibitors Cortech Inc. (US) 2001-07-11 EP disclosed
US-6100238-A USEFUL AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE (HNE) FOR THE TREATMENT OF HNE-MEDIATED PROCESSES IMPLICATED IN CONDITIONS SUCH AS ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK AND MULTIPLE ORGAN FAILURE CORTECH INC. (US) 2000-08-08 US disclosed