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SCHEMBL8961343

SCHEMBL8961343

C/C(=C/C(=O)NC(C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.46
▸ XIAP P98170 1/20 0.44
▸ MLX Q9UH92 1/20 0.44
▸ STAT6 P42226 3/20 0.44
▸ CMA1 P23946 1/20 0.43
▸ CTSG P08311 1/20 0.43
▸ PREP P48147 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ STAT3 P40763 3/20 0.42
▸ CALCRL Q16602 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
SCHEMBL8920881 1.00 ELANE (0.46) ELANEXIAPMLXSTAT6CMA1
SCHEMBL8920878 1.00 ELANE (0.46) ELANEXIAPMLXSTAT6CMA1
SCHEMBL8920868 1.00 ELANE (0.46) ELANEXIAPMLXSTAT6CMA1
SCHEMBL8610923 0.87 PREP (0.57) ELANEXIAPMLXCMA1CTSG
SCHEMBL8922930 0.87 PREP (0.57) ELANEXIAPMLXCMA1CTSG
SCHEMBL8961434 0.87 PREP (0.57) ELANEXIAPMLXCMA1CTSG
SCHEMBL8922945 0.83 XIAP (0.54) ELANEXIAPMLXCMA1CTSG
SCHEMBL8610946 0.83 XIAP (0.54) ELANEXIAPMLXCMA1CTSG
SCHEMBL8612158 0.81 CMA1 (0.47) ELANEXIAPMLXCMA1CTSG
SCHEMBL8921278 0.81 CMA1 (0.47) ELANEXIAPMLXCMA1CTSG

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
EP-0693080-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-24 — — EP disclosed
WO-1994022898-A1 NEW GLUCOCORTICOIDS SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-13 — — WO disclosed