SCHEMBL6686715

SCHEMBL6686715

CC(C)(C)C(NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.58
MMP1 P03956 8/20 0.58
MMP9 P14780 8/20 0.58
ADAM17 P78536 5/20 0.58
ADAMTS4 O75173 4/20 0.54
MMP2 P08253 4/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MMP14 P50281 1/20 0.41
ADAMTS5 Q9UNA0 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
SCHEMBL7758697 0.89 ADAMTS4 (0.61) MMP13MMP1MMP9ADAM17ADAMTS4
SCHEMBL6272434 0.85 MMP13 (0.71) MMP13MMP1MMP9ADAM17ADAMTS4
SCHEMBL6264449 0.79 MMP1 (0.61) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL1655863 0.76 ADAMTS4 (0.85) MMP13MMP1MMP9ADAMTS4MMP2
SCHEMBL7981017 0.74 SMN1; SMN2 (0.62) MMP13MMP1MMP9ADAMTS4MMP2
SCHEMBL7426678 0.74 MMP13 (0.44) MMP13MMP1MMP9ADAM17ADAMTS4
SCHEMBL1770561 0.74 ADAM17 (0.60) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL1770556 0.74 ADAM17 (0.60) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL7354064 0.74 MMP9 (0.69) MMP13MMP1MMP9ADAM17ADAMTS4
SCHEMBL6942916 0.73 ADAM17 (1.00) MMP13MMP1MMP9ADAM17MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
WO-2004093860-A1 INHIBITORS OF SARS RELATED CORONAVIRUS PROTEINASE PFIZER INC. (US) 2004-11-04 WO disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed