SCHEMBL6586243

SCHEMBL6586243

COc1cccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(=O)O)CCOCC4)CC3)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.49
MMP3 P08254 8/20 0.49
MMP9 P14780 3/20 0.49
MMP14 P50281 3/20 0.49
MMP1 P03956 2/20 0.49
MMP13 P45452 4/20 0.43
USP5 P45974 1/20 0.40
EPHX1 P07099 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL6586632 0.93 MMP2 (0.52) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6586377 0.92 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6585463 0.91 MMP2 (0.53) MMP2MMP3MMP9MMP14MMP1
Hydrochloric Acid SCHEMBL6582464 0.90 MMP2 (0.49) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6971910 0.89 MMP2 (0.63) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6959909 0.89 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6433154 0.88 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6584427 0.87 MMP2 (0.50) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6433679 0.87 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6973195 0.87 MMP2 (0.53) MMP2MMP3MMP9MMP14MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed