SCHEMBL7806101

SCHEMBL7806101

CC(C)C[C@H](N)C(=O)NC(NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TARS1 P26639 1/20 0.57
▸ LARS1 Q9P2J5 3/20 0.54
▸ MMP9 P14780 2/20 0.52
▸ MMP13 P45452 9/20 0.52
▸ MMP2 P08253 7/20 0.52
▸ MMP3 P08254 3/20 0.52
▸ MMP1 P03956 3/20 0.52
▸ MMP7 P09237 1/20 0.52
▸ ADAMTS4 O75173 4/20 0.49
▸ CTSK P43235 2/20 0.44
▸ CTSS P25774 1/20 0.44
▸ MMP14 P50281 2/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.43
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEP1B Q16820 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL19792904 0.83 LARS1 (0.78) TARS1LARS1MMP9MMP13MMP2
SCHEMBL7163920 0.78 TARS1 (0.54) TARS1LARS1MMP9MMP13MMP2
SCHEMBL7815915 0.75 CTSK (0.55) MMP13CTSKCTSS
SCHEMBL27556168 0.74 TARS1 (0.52) TARS1LARS1MMP9MMP13MMP2
SCHEMBL23676433 0.73 LARS1 (0.74) TARS1LARS1CTSKCTSS
SCHEMBL14602231 0.73 MMP9 (0.82) TARS1MMP9MMP13MMP2MMP3
SCHEMBL1798546 0.71 MMP9 (0.67) TARS1MMP9MMP13MMP2MMP3
SCHEMBL1798547 0.71 MMP9 (0.67) TARS1MMP9MMP13MMP2MMP3
SCHEMBL14217417 0.71 MMP9 (0.74) TARS1MMP9MMP13MMP2MMP3
SCHEMBL18019131 0.71 LARS1 (1.00) TARS1LARS1CTSKCTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO disclosed
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