SCHEMBL7304538

SCHEMBL7304538

CC(C)(CC(=O)NO)S(=O)(=O)c1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.48
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 3/20 0.41
MMP13 P45452 2/20 0.41
MMP14 P50281 2/20 0.41
MMP3 P08254 2/20 0.41
ADAMTS4 O75173 1/20 0.41
MEP1B Q16820 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP16 P51512 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 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
SCHEMBL7311892 0.76 MMP1 (0.45) MMP1HTR2ASLC6A4ALDH1A1MEN1
SCHEMBL7450024 0.72 HTR2A (0.47) HTR2ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL30307015 0.70 TRPV4 (0.46) HTR2ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL7386055 0.70 TRPV4 (0.46) HTR2ASLC6A4ALDH1A1MEN1KMT2A
SCHEMBL27464049 0.70 MMP1 (0.43) MMP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6823261 0.69 MMP1 (0.59) MMP1ALDH1A1SMN1; SMN2MMP2MMP13
SCHEMBL10865382 0.69 PTGES2 (0.57) HTR2ASLC6A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7311896 0.69 MMP1 (0.50) MMP1HTR2AALDH1A1MMP2MMP9
SCHEMBL7506483 0.68 GAA (0.48) HTR2ASLC6A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL7513509 0.67 MMP13 (0.72) MMP1MMP2MMP13MMP14MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed