SCHEMBL9542958

SCHEMBL9542958

CC(O)C(NC(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
XIAP P98170 1/20 0.38
GZMB P10144 1/20 0.38

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
SCHEMBL9544111 0.92 ELANE (0.47) ELANEXIAP
SCHEMBL9544106 0.92 ELANE (0.47) ELANEXIAP
SCHEMBL9543240 0.90 GZMB (0.46) ELANEGZMB
SCHEMBL9543245 0.90 GZMB (0.46) ELANEGZMB
SCHEMBL9542953 0.87 ELANE (0.40) ELANEXIAP
SCHEMBL9542952 0.87 ELANE (0.40) ELANEXIAP
SCHEMBL9542677 0.85 XIAP (0.45) ELANEXIAP
SCHEMBL9542672 0.85 XIAP (0.45) ELANEXIAP
SCHEMBL9544288 0.84 CXCR3 (0.41)
SCHEMBL9544802 0.82 ACE (0.46)

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO claimed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed