SCHEMBL5711352

SCHEMBL5711352

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.57
ACE P12821 3/20 0.53
DPP4 P27487 1/20 0.50
CAPN1 P07384 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
CTSK P43235 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 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
SCHEMBL5711229 0.89 CAPN1 (0.58) PREPACEDPP4CAPN1CTSK
SCHEMBL5711384 0.88 CTSK (0.55) DPP4CTSKCTSLCTSBCTSS
SCHEMBL5711341 0.87 DPP4 (0.55) PREPACEDPP4CTSKCTSL
SCHEMBL7667089 0.87 CTSL (0.53) PREPACEDPP4CAPN1CYP3A4
SCHEMBL7667094 0.87 CTSL (0.53) PREPACEDPP4CAPN1CYP3A4
SCHEMBL5711367 0.86 ACE (0.48) PREPACEDPP4CAPN1CYP1A2
SCHEMBL5711449 0.86 DPP4 (0.56) PREPACEDPP4CTSKCTSL
SCHEMBL5711325 0.86 DPP4 (0.49) PREPACEDPP4CYP1A2CYP3A4
SCHEMBL5711354 0.85 PREP (0.51) PREPACEDPP4CAPN1CYP3A4
SCHEMBL7668101 0.84 PREP (0.48) PREPACEDPP4CAPN1CYP3A4

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