SCHEMBL6795508

SCHEMBL6795508

CCCCN1C(=O)CN(CC(CS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)NO)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.40
MMP2 P08253 6/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GAA P10253 1/20 0.38
MMP1 P03956 3/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 1/20 0.36
NPC1 O15118 1/20 0.35
MMP8 P22894 3/20 0.35
MMP3 P08254 2/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35

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
SCHEMBL6789471 0.93 HDAC6 (0.41) MMP9MMP2HDAC6HDAC1HDAC2
SCHEMBL6783195 0.90 MMP2 (0.40) MMP9MMP2HDAC6HDAC1HDAC2
SCHEMBL6788683 0.83 MMP2 (0.40) MMP9MMP2HDAC6HDAC1HDAC2
SCHEMBL6790325 0.82 GAA (0.38) MMP9MMP2HDAC6HDAC1HDAC2
SCHEMBL6790741 0.82 MMP2 (0.40) MMP9MMP2HDAC6MMP1MMP13
SCHEMBL6789040 0.76 GAA (0.42) MMP9MMP2HDAC6HDAC1HDAC2
SCHEMBL6784899 0.76 MMP2 (0.53) MMP9MMP2MMP1MMP13ADAM17
SCHEMBL6787829 0.75 MMP2 (0.43) MMP9MMP2GAAMMP1MMP8
SCHEMBL6790584 0.74 MMP2 (0.43) MMP9MMP2HDAC6HDAC1HDAC2
SCHEMBL6790746 0.72 MMP2 (0.42) MMP9MMP2HDAC6GAAMMP1

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