SCHEMBL9543783

SCHEMBL9543783

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.46
GZMB P10144 1/20 0.43
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
ELANE P08246 3/20 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 0.88 ELANE (0.47) XIAPFNTAFNTBELANEPGGT1B
SCHEMBL9544106 0.88 ELANE (0.47) XIAPFNTAFNTBELANEPGGT1B
SCHEMBL9543240 0.81 GZMB (0.46) GZMBELANE
SCHEMBL9543245 0.81 GZMB (0.46) GZMBELANE
SCHEMBL9542958 0.80 ELANE (0.42) XIAPGZMBELANE
SCHEMBL9542953 0.79 ELANE (0.40) XIAPELANE
SCHEMBL9542952 0.79 ELANE (0.40) XIAPELANE
SCHEMBL9544125 0.77 ELANE (0.50) XIAPELANE
SCHEMBL9544131 0.77 ELANE (0.50) XIAPELANE
SCHEMBL9544378 0.77 FNTA (0.46) FNTAFNTBELANE

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