SCHEMBL8924728

SCHEMBL8924728

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.49
ELANE P08246 9/20 0.48
CTSG P08311 1/20 0.48
PREP P48147 1/20 0.46
FAP Q12884 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CCR1 P32246 1/20 0.46
CASP8 Q14790 1/20 0.44
XIAP P98170 1/20 0.44
MLX Q9UH92 1/20 0.44

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
SCHEMBL8924739 1.00 CASP1 (0.49) CASP1ELANECTSGPREPFAP
SCHEMBL8961434 0.90 PREP (0.57) ELANECTSGPREPFAPXIAP
SCHEMBL8922930 0.90 PREP (0.57) ELANECTSGPREPFAPXIAP
SCHEMBL8610923 0.90 PREP (0.57) ELANECTSGPREPFAPXIAP
SCHEMBL22811264 0.84 ACE (0.57) PREPFAP
SCHEMBL8610946 0.82 XIAP (0.54) ELANECTSGXIAPMLX
SCHEMBL8922945 0.82 XIAP (0.54) ELANECTSGXIAPMLX
SCHEMBL8612158 0.81 CMA1 (0.47) ELANECTSGXIAPMLX
SCHEMBL8921278 0.81 CMA1 (0.47) ELANECTSGXIAPMLX
SCHEMBL22209509 0.80 PREP (0.51) PREPFAPCCR1

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