SCHEMBL8048075

SCHEMBL8048075

O=C(CNc1ccc(Oc2ccccc2)cc1)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.65
▸ MMP1 P03956 3/20 0.65
▸ ADAMTS4 O75173 2/20 0.65
▸ MMP13 P45452 2/20 0.65
▸ MMP14 P50281 2/20 0.65
▸ ADAMTS5 Q9UNA0 2/20 0.65
▸ MEP1B Q16820 1/20 0.65
▸ PGR P06401 3/20 0.52
▸ CA12 O43570 5/20 0.52
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ CA9 Q16790 5/20 0.52
▸ CTSK P43235 2/20 0.51
▸ CTSS P25774 1/20 0.51
▸ FFAR1 O14842 2/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ MCL1 Q07820 1/20 0.49

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
SCHEMBL6557782 0.83 MMP2 (0.64) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL7163404 0.82 MMP2 (0.62) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL7247467 0.80 MMP2 (0.72) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL5899447 0.79 MMP2 (0.70) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL6557780 0.78 MMP2 (0.61) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL7168984 0.78 KAT6A (0.58) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL5954356 0.76 FFAR1 (0.59) PGRFFAR1FFAR4
SCHEMBL2838364 0.74 MMP1 (0.64) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL7164010 0.73 SGMS2 (0.53) MMP2MMP1ADAMTS4MMP13MMP14
SCHEMBL5899507 0.73 KAT6A (0.66) MMP2MMP1ADAMTS4MMP13MMP14

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
US-6057362-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2000-05-02 — — US disclosed
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