SCHEMBL9542953

SCHEMBL9542953

C[C@@H](OCc1ccccc1)[C@H](NC(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
XIAP P98170 2/20 0.40
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9542952 1.00 ELANE (0.40) ELANEXIAPMMEACENPSR1
SCHEMBL9544111 0.90 ELANE (0.47) ELANEXIAP
SCHEMBL9544106 0.90 ELANE (0.47) ELANEXIAP
SCHEMBL9543240 0.88 GZMB (0.46) ELANE
SCHEMBL9543245 0.88 GZMB (0.46) ELANE
SCHEMBL9542958 0.87 ELANE (0.42) ELANEXIAP
SCHEMBL9544802 0.85 ACE (0.46) ACE
SCHEMBL9544283 0.85 KMT2A (0.43)
SCHEMBL9544282 0.85 KMT2A (0.43)
SCHEMBL9542677 0.83 XIAP (0.45) ELANEXIAP

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