SCHEMBL27556168

SCHEMBL27556168

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TARS1 P26639 1/20 0.52
▸ LARS1 Q9P2J5 3/20 0.48
▸ MMP13 P45452 10/20 0.47
▸ MMP2 P08253 8/20 0.47
▸ MMP1 P03956 5/20 0.47
▸ MMP9 P14780 3/20 0.46
▸ ADAMTS4 O75173 4/20 0.44
▸ MMP3 P08254 2/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP14 P50281 3/20 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
▸ CTSK P43235 2/20 0.42
▸ CTSS P25774 1/20 0.42
▸ MMP8 P22894 1/20 0.40
▸ MMP16 P51512 1/20 0.40
▸ ADAM17 P78536 1/20 0.40

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 0.78 LARS1 (0.78) TARS1LARS1MMP13MMP2MMP1
SCHEMBL7806101 0.74 TARS1 (0.57) TARS1LARS1MMP13MMP2MMP1
SCHEMBL7163920 0.74 TARS1 (0.54) TARS1LARS1MMP13MMP2MMP1
SCHEMBL23676433 0.69 LARS1 (0.74) TARS1LARS1CTSKCTSS
SCHEMBL20988466 0.68 PGR (0.56) TARS1MMP13MMP2MMP1MMP9
SCHEMBL5445424 0.67 MMP2 (0.61) TARS1MMP13MMP2MMP1MMP9
SCHEMBL1798546 0.67 MMP9 (0.67) TARS1MMP13MMP2MMP1MMP9
SCHEMBL1798547 0.67 MMP9 (0.67) TARS1MMP13MMP2MMP1MMP9
SCHEMBL14217417 0.66 MMP9 (0.74) TARS1MMP13MMP2MMP1MMP9
SCHEMBL18019131 0.66 LARS1 (1.00) TARS1LARS1CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177293-A Method for inhibiting cathepsin K SMITHKLINE BEECHAM CORP (US) 1998-03-25 — — CN disclosed
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