SCHEMBL8364949

SCHEMBL8364949

O=C(NO)c1ccccc1CSc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.50
MMP13 P45452 4/20 0.50
MMP14 P50281 3/20 0.50
MMP3 P08254 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
MMP12 P39900 2/20 0.50
MMP16 P51512 2/20 0.50
ALDH1A1 P00352 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
MMP1 P03956 4/20 0.44
ADAMTS4 O75173 1/20 0.42
MEP1B Q16820 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
PNLIP P16233 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 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
SCHEMBL8365095 0.86 PPARG (0.52) ALDH1A1PPARGPPARAMEN1LMNA
SCHEMBL5898974 0.75 MMP13 (0.62) MMP2MMP13MMP14MMP3MMP9
SCHEMBL1931922 0.71 ALDH1A1 (0.61) ALDH1A1PPARGPPARAMEN1LMNA
SCHEMBL29770828 0.71 ALDH1A1 (0.61) ALDH1A1PPARGPPARAMEN1LMNA
SCHEMBL9045444 0.71 ALDH1A1 (0.54) ALDH1A1PPARGPPARAMEN1LMNA
SCHEMBL31123647 0.71 L3MBTL1 (0.58) ALDH1A1PPARGPPARALMNAL3MBTL1
SCHEMBL11274332 0.71 L3MBTL1 (0.58) ALDH1A1PPARGPPARALMNAL3MBTL1
SCHEMBL27547400 0.70 ALDH1A1 (0.50) ALDH1A1PPARGPPARALMNAL3MBTL1
SCHEMBL974852 0.70 CTNNB1 (0.62) MMP2MMP13MMP14MMP3MMP9
SCHEMBL21451083 0.70 ALDH1A1 (0.89) ALDH1A1PPARGPPARAMEN1LMNA

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
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed