SCHEMBL7430787

SCHEMBL7430787

COCCN(O)C(=O)C1(S(=O)(=O)c2ccc(N3CCC(C(=O)NCc4ccccc4)CC3)cc2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.49
MMP13 P45452 5/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7429528 0.91 MMP2 (0.47) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7430791 0.81 MMP2 (0.48) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7427208 0.80 MMP3 (0.50) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6621335 0.80 MMP13 (0.55) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7424411 0.80 MMP2 (0.49) MMP2MMP13MMP1MMP3MMP9
SCHEMBL6690406 0.78 MMP13 (0.80) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7434762 0.74 MMP2 (0.55) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7429534 0.73 MMP13 (0.46) MMP2MMP13MMP1MMP3MMP9
SCHEMBL7426797 0.70 MMP2 (0.57) MMP2MMP13MMP1MMP3MMP9
SCHEMBL4035778 0.70 NPSR1 (0.70) MAPTNPSR1HPGDALDH1A1

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-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed