SCHEMBL5711277

SCHEMBL5711277

COc1ccc(COC(=O)N[C@H](C(=O)N2CSC[C@H]2C(=O)O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 3/20 0.48
ATM Q13315 1/20 0.45
CTSL P07711 2/20 0.43
CTSK P43235 2/20 0.43
CTSB P07858 1/20 0.43
CCR1 P32246 2/20 0.43
ACE P12821 2/20 0.42
CTSD P07339 1/20 0.42
PREP P48147 1/20 0.41
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSS P25774 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 0.90 CAPN1 (0.58) CAPN1CTSLCTSKCTSBCCR1
SCHEMBL7665098 0.84 CMA1 (0.46) CAPN1CTSLCTSKCTSBCTSD
SCHEMBL7662824 0.84 CTSD (0.49) CAPN1ATMCTSLCTSKCTSB
SCHEMBL7667089 0.82 CTSL (0.53) CAPN1CTSLCTSKCTSBCCR1
SCHEMBL7667094 0.82 CTSL (0.53) CAPN1CTSLCTSKCTSBCCR1
SCHEMBL5711352 0.80 PREP (0.57) CAPN1CTSLCTSKCTSBACE
SCHEMBL7655857 0.79 POLB (0.52) CAPN1ATMCTSLCTSKCTSB
SCHEMBL5711285 0.79 CCR1 (0.50) CAPN1CCR1ACE
SCHEMBL5711367 0.77 ACE (0.48) CAPN1ACEPREPDPP4ALDH1A1
SCHEMBL5711242 0.77 CCR1 (0.50) CAPN1CCR1ACEPREPALDH1A1

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