SCHEMBL5711342

SCHEMBL5711342

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
ACE P12821 3/20 0.45
PREP P48147 1/20 0.44
SYK P43405 1/20 0.43
MMP8 P22894 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
CASP1 P29466 3/20 0.42
CTSL P07711 2/20 0.41
CTSK P43235 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL5711193 0.88 CMA1 (0.45) DPP4ACEMMP8ADORA3ADORA2A
SCHEMBL5711405 0.87 DPP4 (0.51) DPP4ACEPREPSYKCTSL
SCHEMBL7664388 0.86 ADORA3 (0.45) DPP4KLK7KLK5PREPMMP8
SCHEMBL5711341 0.86 DPP4 (0.55) DPP4ACEPREPCTSLCTSK
SCHEMBL5711449 0.85 DPP4 (0.56) DPP4ACEPREPCTSLCTSK
SCHEMBL5711384 0.84 CTSK (0.55) DPP4CTSLCTSKCTSBCTSS
SCHEMBL5711367 0.83 ACE (0.48) DPP4ACEPREPCASP1
SCHEMBL5711352 0.81 PREP (0.57) DPP4ACEPREPCTSLCTSK
SCHEMBL7668118 0.81 KLK7 (0.43) KLK7KLK5ACESYKMMP8
SCHEMBL5711350 0.81 DPP4 (0.53) DPP4ACECTSLCTSKCTSB

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