SCHEMBL5711367

SCHEMBL5711367

CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.48
DPP4 P27487 1/20 0.48
PREP P48147 4/20 0.48
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP2 P42575 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP8 Q14790 1/20 0.46
CASP10 Q92851 1/20 0.46
CAPN1 P07384 2/20 0.43
BIRC2 Q13490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5711229 0.87 CAPN1 (0.58) ACEDPP4PREPCASP1CASP3
SCHEMBL5711352 0.86 PREP (0.57) ACEDPP4PREPCAPN1CYP1A2
SCHEMBL5711430 0.86 CASP1 (0.47) ACEDPP4PREPCASP1CASP3
SCHEMBL7669769 0.85 CASP1 (0.43) DPP4PREPCASP1CASP3CASP2
SCHEMBL5711341 0.84 DPP4 (0.55) ACEDPP4PREP
SCHEMBL5711405 0.84 DPP4 (0.51) ACEDPP4PREP
SCHEMBL5711325 0.83 DPP4 (0.49) ACEDPP4PREPALDH1A1CYP1A2
SCHEMBL5711449 0.83 DPP4 (0.56) ACEDPP4PREPALDH1A1
SCHEMBL5711384 0.83 CTSK (0.55) DPP4
SCHEMBL5711342 0.83 DPP4 (0.50) ACEDPP4PREPCASP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed