SCHEMBL7765228

SCHEMBL7765228

CC1(C)[C@H](C(N)=O)N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)CC[S@@+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 19/20 0.56
▸ MMP3 P08254 12/20 0.56
▸ MMP7 P09237 11/20 0.56
▸ MMP2 P08253 10/20 0.56
▸ MMP13 P45452 9/20 0.56
▸ MMP9 P14780 7/20 0.56
▸ ADAM17 P78536 5/20 0.56
▸ MMP8 P22894 5/20 0.56
▸ MMP14 P50281 2/20 0.56

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
SCHEMBL7765223 1.00 MMP1 (0.56) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6339420 0.89 MMP1 (0.68) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6112368 0.80 MMP1 (0.80) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6108342 0.80 MMP1 (0.80) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6107983 0.79 MMP1 (0.59) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6863639 0.78 MMP1 (0.56) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6336327 0.78 MMP1 (0.56) MMP1MMP3MMP7MMP2MMP13
SCHEMBL7408195 0.75 MMP1 (0.43) MMP1MMP3MMP7MMP2MMP13
SCHEMBL7763291 0.75 MMP1 (0.56) MMP1MMP3MMP7MMP2MMP13
SCHEMBL6267902 0.74 MMP1 (0.67) MMP1MMP3MMP7MMP2MMP13

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-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
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