SCHEMBL8922930

SCHEMBL8922930

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.57
FAP Q12884 2/20 0.57
ELANE P08246 8/20 0.52
CTSG P08311 1/20 0.52
ACE P12821 6/20 0.51
XIAP P98170 1/20 0.48
MLX Q9UH92 1/20 0.48
ACE2 Q9BYF1 4/20 0.46
CMA1 P23946 2/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL8610923 1.00 PREP (0.57) PREPFAPELANECTSGACE
SCHEMBL8961434 1.00 PREP (0.57) PREPFAPELANECTSGACE
SCHEMBL8924728 0.90 CASP1 (0.49) PREPFAPELANECTSGXIAP
SCHEMBL8924739 0.90 CASP1 (0.49) PREPFAPELANECTSGXIAP
SCHEMBL8922945 0.88 XIAP (0.54) ELANECTSGACEXIAPMLX
SCHEMBL8610946 0.88 XIAP (0.54) ELANECTSGACEXIAPMLX
SCHEMBL8920881 0.87 ELANE (0.46) PREPFAPELANECTSGXIAP
SCHEMBL8920868 0.87 ELANE (0.46) PREPFAPELANECTSGXIAP
SCHEMBL8920878 0.87 ELANE (0.46) PREPFAPELANECTSGXIAP
SCHEMBL8961343 0.87 ELANE (0.46) PREPFAPELANECTSGXIAP

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