SCHEMBL5539183

SCHEMBL5539183

COc1ccc(S(=O)(=O)N2CC[C@H]3CC(C(=O)NOCc4ccccc4)N(C(=O)c4ccccc4)C[C@@H]32)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.50
MMP9 P14780 12/20 0.50
MMP3 P08254 11/20 0.50
MMP13 P45452 10/20 0.50
MMP7 P09237 9/20 0.50
MMP2 P08253 5/20 0.49
MMP12 P39900 1/20 0.49
MMP8 P22894 1/20 0.47
ADAM17 P78536 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1656824 0.84 MMP9 (0.65) MMP1MMP9MMP3MMP13MMP7
SCHEMBL7220742 0.80 MMP1 (0.69) MMP1MMP9MMP3MMP13MMP7
SCHEMBL2927653 0.80 MMP9 (0.68) MMP1MMP9MMP3MMP13MMP7
SCHEMBL1658416 0.79 MMP9 (0.67) MMP1MMP9MMP3MMP13MMP7
SCHEMBL1655602 0.79 MMP9 (0.67) MMP1MMP9MMP3MMP13MMP7
SCHEMBL7214256 0.79 MMP1 (0.60) MMP1MMP9MMP3MMP13MMP7
SCHEMBL2927874 0.78 MMP9 (0.65) MMP1MMP9MMP3MMP13MMP7
SCHEMBL1656110 0.78 MMP9 (0.65) MMP1MMP9MMP3MMP13MMP7
SCHEMBL1655650 0.77 MMP9 (0.65) MMP1MMP9MMP3MMP13MMP7
SCHEMBL1658472 0.77 MMP9 (0.65) MMP1MMP9MMP3MMP13MMP7

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-1768979-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-04 EP disclosed
WO-2006008303-A1 OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-01-26 WO disclosed