SCHEMBL6795149

SCHEMBL6795149

O=C(O)C(CN1C(=O)NC(=O)C1CO)CS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.39
MMP9 P14780 9/20 0.39
MMP3 P08254 4/20 0.39
MMP1 P03956 3/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS5 Q9UNA0 2/20 0.39
GAA P10253 1/20 0.36
CRBN Q96SW2 1/20 0.34
MMP8 P22894 3/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL6789912 0.87 MMP2 (0.44) MMP2MMP9MMP3MMP1MMP7
SCHEMBL6790724 0.87 MMP9 (0.42) MMP2MMP9MMP3MMP13
SCHEMBL6784130 0.84 MMP2 (0.41) MMP2MMP9MMP3MMP1MMP7
SCHEMBL7450056 0.82 MMP2 (0.41) MMP2MMP9MMP3MMP1MMP7
SCHEMBL6789343 0.82 MMP2 (0.38) MMP2MMP9MMP3MMP1MMP7
SCHEMBL7456835 0.80 MMP2 (0.40) MMP2MMP9MMP3MMP1MMP7
SCHEMBL7446724 0.79 MMP2 (0.40) MMP2MMP9MMP3MMP1MMP7
SCHEMBL7456913 0.75 GAA (0.42) MMP2MMP9MMP3MMP1MMP7
SCHEMBL7444559 0.74 MMP2 (0.48) MMP2MMP9MMP3MMP1MMP7
SCHEMBL6788436 0.74 MMP9 (0.55) MMP2MMP9MMP3MMP1MMP13

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-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US claimed
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed