SCHEMBL9544106

SCHEMBL9544106

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
XIAP P98170 4/20 0.46
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 1/20 0.41

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 1.00 ELANE (0.47) ELANEXIAPFNTAFNTBPGGT1B
SCHEMBL9543245 0.93 GZMB (0.46) ELANE
SCHEMBL9543240 0.93 GZMB (0.46) ELANE
SCHEMBL9542958 0.92 ELANE (0.42) ELANEXIAP
SCHEMBL9542953 0.90 ELANE (0.40) ELANEXIAP
SCHEMBL9542952 0.90 ELANE (0.40) ELANEXIAP
SCHEMBL9544125 0.90 ELANE (0.50) ELANEXIAP
SCHEMBL9544131 0.90 ELANE (0.50) ELANEXIAP
SCHEMBL9542677 0.88 XIAP (0.45) ELANEXIAP
SCHEMBL9543783 0.88 XIAP (0.46) ELANEXIAPFNTAFNTBPGGT1B

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