SCHEMBL6586377

SCHEMBL6586377

COC(=O)C1(S(=O)(=O)N2CCC(c3ccc(-c4cccc(OC)c4)c(C)c3)CC2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.51
MMP3 P08254 8/20 0.51
MMP9 P14780 3/20 0.50
MMP14 P50281 3/20 0.50
MMP1 P03956 2/20 0.50
MMP13 P45452 4/20 0.44
USP5 P45974 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL6587738 0.93 MMP2 (0.53) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6586243 0.92 MMP2 (0.49) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6439486 0.92 MMP2 (0.52) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6585463 0.92 MMP2 (0.53) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6435026 0.91 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6590241 0.91 MMP2 (0.51) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6433129 0.91 MMP2 (0.46) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6437469 0.90 MMP2 (0.63) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6433435 0.90 MMP2 (0.52) MMP2MMP3MMP9MMP14MMP1
SCHEMBL6435028 0.89 MMP2 (0.50) 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 2 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