SCHEMBL9542677

SCHEMBL9542677

CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)NC(C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.45
ELANE P08246 1/20 0.39
CXCR3 P49682 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
SCHEMBL9542672 1.00 XIAP (0.45) XIAPELANECXCR3
SCHEMBL9544106 0.88 ELANE (0.47) XIAPELANE
SCHEMBL9544111 0.88 ELANE (0.47) XIAPELANE
SCHEMBL9543240 0.86 GZMB (0.46) ELANE
SCHEMBL9543245 0.86 GZMB (0.46) ELANE
SCHEMBL9544802 0.85 ACE (0.46) CXCR3
SCHEMBL9542958 0.85 ELANE (0.42) XIAPELANE
SCHEMBL9542953 0.83 ELANE (0.40) XIAPELANE
SCHEMBL9542952 0.83 ELANE (0.40) XIAPELANE
SCHEMBL9544085 0.83 CTSS (0.48) CXCR3

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