SCHEMBL8922544

SCHEMBL8922544

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.47
CMA1 P23946 5/20 0.46
ELANE P08246 12/20 0.45
MLX Q9UH92 1/20 0.43
CTSG P08311 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL8611726 1.00 XIAP (0.47) XIAPCMA1ELANEMLXCTSG
SCHEMBL8961236 0.89 PREP (0.49) XIAPCMA1ELANEMLXCTSG
SCHEMBL8611208 0.89 PREP (0.49) XIAPCMA1ELANEMLXCTSG
SCHEMBL8922480 0.89 PREP (0.49) XIAPCMA1ELANEMLXCTSG
SCHEMBL8921575 0.88 CMA1 (0.53) XIAPCMA1ELANEPOLB
SCHEMBL8920472 0.88 CMA1 (0.53) XIAPCMA1ELANEPOLB
SCHEMBL30582861 0.88 XIAP (0.55) XIAPCMA1ELANEMLXCTSG
SCHEMBL8613939 0.85 XIAP (0.57) XIAPCMA1ELANEMLX
SCHEMBL8920341 0.85 XIAP (0.57) XIAPCMA1ELANEMLX
SCHEMBL30216504 0.85 XIAP (0.52) XIAPCMA1ELANEMLX

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