SCHEMBL6586997

SCHEMBL6586997

COC(=O)C1(S(=O)(=O)N2CC=C(c3ccc(-c4ccccc4)c(C)c3)CC2)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.59
MMP3 P08254 13/20 0.59
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADAM10 O14672 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
EPHX1 P07099 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6590191 0.93 MMP2 (0.63) MMP2MMP3L3MBTL1PKM
SCHEMBL6583989 0.91 MMP2 (0.60) MMP2MMP3L3MBTL1PKMEPHX1
SCHEMBL6584779 0.91 MMP2 (0.65) MMP2MMP3L3MBTL1CYP3A4CYP2C9
SCHEMBL6585027 0.90 MMP2 (0.51) MMP2MMP3L3MBTL1CYP3A4CYP2C9
SCHEMBL6584009 0.90 MMP2 (0.64) MMP2MMP3L3MBTL1ADAM10MMP1
SCHEMBL6582503 0.89 MMP2 (0.55) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6582426 0.88 MMP2 (0.66) MMP2MMP3CYP3A4CYP2C9PKM
SCHEMBL6433272 0.87 MMP2 (0.44) MMP2MMP3L3MBTL1CYP3A4CYP2C9
SCHEMBL6584555 0.85 MMP2 (0.63) MMP2MMP3L3MBTL1ADAM10MMP9
SCHEMBL6586078 0.83 MMP2 (0.64) MMP2MMP3L3MBTL1PKM

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