SCHEMBL6790741

SCHEMBL6790741

CCCCN1CC(=O)N(CC(CS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)C(=O)NO)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.40
MMP9 P14780 11/20 0.40
MMP1 P03956 9/20 0.40
MMP3 P08254 8/20 0.40
MMP7 P09237 5/20 0.40
MMP13 P45452 5/20 0.40
HDAC6 Q9UBN7 1/20 0.38
MMP8 P22894 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSD11B1 P28845 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL6791331 0.91 MMP2 (0.40) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6789471 0.89 HDAC6 (0.41) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6795508 0.82 MMP9 (0.40) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6788683 0.79 MMP2 (0.40) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6790325 0.78 GAA (0.38) MMP2MMP9MMP1MMP7MMP13
SCHEMBL6783195 0.71 MMP2 (0.40) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6789040 0.71 GAA (0.42) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7215410 0.69 MMP7 (0.46) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7513829 0.68 MMP2 (0.67) MMP2MMP9MMP1MMP3
SCHEMBL7212024 0.67 HDAC6 (0.37) MMP2MMP9MMP1MMP3MMP7

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 1 patent. 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 disclosed