SCHEMBL8922945

SCHEMBL8922945

CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.54
MLX Q9UH92 1/20 0.54
ELANE P08246 12/20 0.48
CMA1 P23946 4/20 0.46
CTSG P08311 1/20 0.44
KCNH2 Q12809 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL8610946 1.00 XIAP (0.54) XIAPMLXELANECMA1CTSG
SCHEMBL8961434 0.88 PREP (0.57) XIAPMLXELANECMA1CTSG
SCHEMBL8610923 0.88 PREP (0.57) XIAPMLXELANECMA1CTSG
SCHEMBL8922930 0.88 PREP (0.57) XIAPMLXELANECMA1CTSG
SCHEMBL8921278 0.86 CMA1 (0.47) XIAPMLXELANECMA1CTSG
SCHEMBL8612158 0.86 CMA1 (0.47) XIAPMLXELANECMA1CTSG
SCHEMBL8922480 0.84 PREP (0.49) XIAPMLXELANECMA1CTSG
SCHEMBL8961236 0.84 PREP (0.49) XIAPMLXELANECMA1CTSG
SCHEMBL8611208 0.84 PREP (0.49) XIAPMLXELANECMA1CTSG
SCHEMBL8961439 0.83 ELANE (0.69) ELANECMA1ACE

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