SCHEMBL5711229

SCHEMBL5711229

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.58
CTSB P07858 3/20 0.53
CTSK P43235 3/20 0.53
CTSL P07711 3/20 0.53
CCR1 P32246 2/20 0.52
ACE P12821 2/20 0.52
DPP4 P27487 1/20 0.49
PREP P48147 3/20 0.48
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CTSS P25774 3/20 0.47

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
SCHEMBL7667089 0.91 CTSL (0.53) CAPN1CTSBCTSKCTSLCCR1
SCHEMBL7667094 0.91 CTSL (0.53) CAPN1CTSBCTSKCTSLCCR1
SCHEMBL5711277 0.90 CAPN1 (0.48) CAPN1CTSBCTSKCTSLCCR1
SCHEMBL5711352 0.89 PREP (0.57) CAPN1CTSBCTSKCTSLACE
SCHEMBL5711367 0.87 ACE (0.48) CAPN1ACEDPP4PREPCASP1
SCHEMBL5711384 0.86 CTSK (0.55) CTSBCTSKCTSLDPP4CTSS
SCHEMBL5711341 0.85 DPP4 (0.55) CTSKCTSLACEDPP4PREP
SCHEMBL5711319 0.85 CAPN1 (0.50) CAPN1CTSBCTSKCTSLCCR1
SCHEMBL7666940 0.85 CAPN1 (0.50) CAPN1CTSBCTSKCTSLCCR1
SCHEMBL7668192 0.85 CAPN1 (0.49) CAPN1CTSBCTSKCTSLCCR1

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