SCHEMBL7765131

SCHEMBL7765131

CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.68
MMP13 P45452 15/20 0.68
MMP2 P08253 10/20 0.68
MMP3 P08254 10/20 0.68
MMP9 P14780 10/20 0.68
MMP7 P09237 8/20 0.68
MMP14 P50281 2/20 0.68
ADAM17 P78536 12/20 0.63
MMP8 P22894 6/20 0.63
ADAM10 O14672 2/20 0.52
ADAM9 Q13443 2/20 0.52

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
SCHEMBL6770033 0.90 MMP1 (0.54) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6770037 0.90 MMP1 (0.54) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6430098 0.89 MMP1 (0.71) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6430094 0.89 MMP1 (0.71) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7758653 0.89 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6344484 0.89 MMP1 (0.83) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6344450 0.88 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6429369 0.88 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6765807 0.88 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9
SCHEMBL6765810 0.88 MMP1 (0.76) MMP1MMP13MMP2MMP3MMP9

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
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN claimed
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
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