SCHEMBL8920341

SCHEMBL8920341

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.57
ELANE P08246 11/20 0.43
CMA1 P23946 3/20 0.42
MLX Q9UH92 1/20 0.41
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39

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
SCHEMBL8613939 1.00 XIAP (0.57) XIAPELANECMA1MLXPREP
SCHEMBL30582861 0.98 XIAP (0.55) XIAPELANECMA1MLX
SCHEMBL30216504 0.94 XIAP (0.52) XIAPELANECMA1MLX
SCHEMBL30216494 0.93 XIAP (0.53) XIAPELANECMA1MLXPREP
SCHEMBL10749206 0.89 XIAP (0.49) XIAPELANECMA1PREPFAP
SCHEMBL10749197 0.89 XIAP (0.49) XIAPELANECMA1PREPFAP
SCHEMBL29758603 0.89 XIAP (0.62) XIAPELANEPREPFAP
SCHEMBL21312750 0.88 XIAP (0.55) XIAPELANECMA1MLX
SCHEMBL8922480 0.87 PREP (0.49) XIAPELANECMA1MLXPREP
SCHEMBL8611208 0.87 PREP (0.49) XIAPELANECMA1MLXPREP

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-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed