SCHEMBL17029370

SCHEMBL17029370

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)N)C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.48
▸ MLX Q9UH92 1/20 0.42
▸ ELANE P08246 6/20 0.40
▸ CALCRL Q16602 2/20 0.40
▸ DPP4 P27487 3/20 0.39
▸ FAP Q12884 2/20 0.39
▸ DPP7 Q9UHL4 2/20 0.39
▸ PREP P48147 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ BIRC2 Q13490 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37

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
SCHEMBL10297448 1.00 XIAP (0.48) XIAPMLXELANECALCRLDPP4
SCHEMBL10297419 1.00 XIAP (0.48) XIAPMLXELANECALCRLDPP4
SCHEMBL10297449 0.89 XIAP (0.49) XIAPMLXELANECALCRLTAAR1
SCHEMBL10297437 0.89 XIAP (0.49) XIAPMLXELANECALCRLTAAR1
SCHEMBL29697762 0.87 XIAP (0.51) XIAPMLXELANECALCRLTAAR1
SCHEMBL10297469 0.85 XIAP (0.43) XIAP
SCHEMBL10297432 0.85 XIAP (0.43) XIAP
SCHEMBL17029373 0.84 CMA1 (0.49) ELANE
SCHEMBL10297454 0.84 CMA1 (0.49) ELANE
SCHEMBL10297416 0.84 CMA1 (0.49) ELANE

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
Send feedback