SCHEMBL6586045

SCHEMBL6586045

O=C(O)C1(S(=O)(=O)N2CC=C(c3ccc(-c4ccccc4)cc3)CC2)Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.55
MMP3 P08254 6/20 0.55
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD11B1 P28845 3/20 0.44
KMT2A Q03164 1/20 0.44
MMP14 P50281 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
NAMPT P43490 1/20 0.43
USP5 P45974 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6585833 0.89 MMP2 (0.60) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6583034 0.88 MMP2 (0.53) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6584500 0.83 MMP2 (0.53) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL7410970 0.78 MMP2 (0.43) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6586078 0.76 MMP2 (0.64) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6586758 0.75 MMP2 (0.57) MMP2MMP3ALDH1A1PKMMMP14
SCHEMBL6585027 0.74 MMP2 (0.51) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6583989 0.73 MMP2 (0.60) MMP2MMP3ALDH1A1PKML3MBTL1
SCHEMBL6587473 0.71 MMP2 (0.58) MMP2MMP3ALDH1A1PKMKDM4E
SCHEMBL6587433 0.71 MMP3 (1.00) MMP2MMP3ALDH1A1PKMKDM4E

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