SCHEMBL7455754

SCHEMBL7455754

COC(=O)C(C#CCc1ccccc1)NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.38
MMP3 P08254 2/20 0.38
MMP2 P08253 2/20 0.38
GAB1 Q13480 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
MMP8 P22894 2/20 0.38
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP9 P14780 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7503399 0.87 MMP2 (0.41) MMP3MMP2MMP1MMP13TP53
SCHEMBL7455303 0.74 MMP2 (0.52) MMP3MMP2MMP1MMP13MMP8
SCHEMBL7450816 0.71 MMP13 (0.61) MMP3MMP2MMP1MMP13MMP8
SCHEMBL7060922 0.70 MMP2 (0.48) CA2MMP3MMP2GAB1MMP1
SCHEMBL14087505 0.69 GAB1 (0.51) CA2MMP3GAB1MMP8
SCHEMBL15880546 0.68 CA2 (0.52) CA2MMP3MMP2GAB1MMP1
SCHEMBL12675024 0.65 CA2 (0.54) CA2MMP2MMP13MMP8MAPT
SCHEMBL12674381 0.65 MEN1 (0.48) CA2MMP3GAB1MMP8POLB
SCHEMBL12674389 0.65 MAPT (0.49) CA2MMP3GAB1MMP8TP53
SCHEMBL7460372 0.64 HTR6 (0.56) CA2MMP3GAB1MMP8MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed