SCHEMBL7412150

SCHEMBL7412150

CCOC(=O)CCNC(C)(CS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)NO

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.60
MMP2 P08253 14/20 0.60
MMP1 P03956 11/20 0.60
MMP9 P14780 2/20 0.41
ADAM17 P78536 2/20 0.41
ABCB11 O95342 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP10 P09238 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 2/20 0.39
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
SCHEMBL7412264 0.90 MMP13 (0.60) MMP13MMP2MMP1MMP9MMP7
SCHEMBL7416696 0.88 MMP13 (0.67) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6087288 0.78 MMP2 (0.67) MMP13MMP2MMP1MMP9
SCHEMBL7299694 0.77 MMP13 (0.62) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL6813468 0.75 MMP1 (0.44) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7412217 0.73 KMT2A (0.64) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7870795 0.69 ALDH1A1 (0.71) MMP1ALDH1A1GAA
SCHEMBL16839804 0.68 MAPT (0.51)
SCHEMBL6955637 0.67 MMP1 (0.76) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL1464359 0.67 KMT2A (0.73) ALDH1A1GAA

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
US-6417229-B1 ENZYME INHIBITORS PFIZER INC 2002-07-09 US claimed
EP-1088550-A1 alpha-sulfonylamino hydroxamic acid inhibitors of matrix metallo-proteinases for the treatment of peripheral or central nervous system disorders Pfizer Products Inc. (US) 2001-04-04 EP disclosed