SCHEMBL6584658

SCHEMBL6584658

COC(=O)C(C)(C)S(=O)(=O)N1CCC(c2ccc(-c3ccc4c(c3)nc(C)n4C)c(C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.51
MMP3 P08254 7/20 0.51
MMP1 P03956 2/20 0.50
MMP9 P14780 2/20 0.50
MMP14 P50281 2/20 0.50
RAB9A P51151 6/20 0.39
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.35
CARM1 Q86X55 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FAAH O00519 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
SCHEMBL6584816 0.91 MMP2 (0.49) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6584000 0.90 MMP3 (0.61) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586391 0.81 MMP2 (0.47) MMP2MMP3RAB9AKDM1AKDM4E
SCHEMBL6438199 0.80 MMP3 (0.62) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586655 0.78 MMP3 (0.52) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6432618 0.78 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587846 0.76 MMP2 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6437658 0.75 MMP2 (0.51) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6590101 0.75 MMP2 (0.65) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586333 0.75 MMP2 (0.85) MMP2MMP3MMP1MMP9MMP14

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