SCHEMBL17029371

SCHEMBL17029371

COC(=O)CCC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)CCl)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.40
▸ REN P00797 1/20 0.39
▸ XIAP P98170 2/20 0.38
▸ MLX Q9UH92 1/20 0.38
▸ CMA1 P23946 6/20 0.37
▸ BIRC2 Q13490 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL10297455 1.00 ELANE (0.40) ELANERENXIAPMLXCMA1
SCHEMBL10297429 1.00 ELANE (0.40) ELANERENXIAPMLXCMA1
SCHEMBL21581232 0.96 ELANE (0.42) ELANERENXIAPMLXCMA1
SCHEMBL10297438 0.96 ELANE (0.42) ELANERENXIAPMLXCMA1
SCHEMBL10297466 0.96 ELANE (0.42) ELANERENXIAPMLXCMA1
SCHEMBL29463845 0.96 ELANE (0.42) ELANERENXIAPMLXCMA1
SCHEMBL29463850 0.92 REN (0.40) ELANERENXIAPMLXCMA1
SCHEMBL10297425 0.87 REN (0.44) REN
SCHEMBL17029372 0.87 REN (0.44) REN
SCHEMBL10297453 0.87 REN (0.44) REN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9114104-B2 Proteinase K inhibitors, methods and compositions therefor Life Technologies Corporation (US) 2015-08-25 — — US disclosed
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