SCHEMBL7468985

SCHEMBL7468985

O=C(CC1(S(=O)(=O)CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1)NO

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.57
MMP13 P45452 11/20 0.57
MMP2 P08253 11/20 0.57
MMP14 P50281 8/20 0.57
ADAMTS4 O75173 4/20 0.57
ADAMTS5 Q9UNA0 4/20 0.57
MEP1B Q16820 2/20 0.57
MMP9 P14780 7/20 0.43
MMP8 P22894 5/20 0.43
MMP3 P08254 4/20 0.43
ADAM17 P78536 3/20 0.43
MMP16 P51512 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
MMP7 P09237 1/20 0.40
MMP12 P39900 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
SCHEMBL7299253 0.85 MMP1 (0.76) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7298937 0.75 MMP1 (0.61) MMP1MMP13MMP2MMP14MMP9
SCHEMBL7301493 0.75 MMP1 (0.76) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7309090 0.74 MMP1 (0.80) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7301387 0.74 MMP1 (0.79) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7462489 0.72 MMP1 (0.55) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7308211 0.72 MMP1 (0.76) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7307897 0.72 MMP1 (1.00) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7303077 0.70 MMP1 (0.72) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL5919502 0.70 MMP13 (0.80) MMP1MMP13MMP2MMP14MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171422-A1 MMP INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP disclosed
WO-2000063165-A1 MMP INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-26 WO disclosed