SCHEMBL8922480

SCHEMBL8922480

CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.49
FAP Q12884 1/20 0.49
XIAP P98170 2/20 0.48
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
ELANE P08246 12/20 0.42
MLX Q9UH92 1/20 0.42
CMA1 P23946 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
CALCRL Q16602 1/20 0.39
CTSG P08311 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
SCHEMBL8961236 1.00 PREP (0.49) PREPFAPXIAPDPP4DPP8
SCHEMBL8611208 1.00 PREP (0.49) PREPFAPXIAPDPP4DPP8
SCHEMBL30582861 0.90 XIAP (0.55) XIAPELANEMLXCMA1CALCRL
SCHEMBL8922544 0.89 XIAP (0.47) XIAPELANEMLXCMA1CTSG
SCHEMBL8611726 0.89 XIAP (0.47) XIAPELANEMLXCMA1CTSG
SCHEMBL8613939 0.87 XIAP (0.57) PREPFAPXIAPELANEMLX
SCHEMBL8920341 0.87 XIAP (0.57) PREPFAPXIAPELANEMLX
SCHEMBL30216504 0.87 XIAP (0.52) XIAPELANEMLXCMA1CALCRL
SCHEMBL9622786 0.86 PREP (0.49) PREPFAPXIAPDPP4DPP8
SCHEMBL8920472 0.86 CMA1 (0.53) XIAPELANECMA1

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