SCHEMBL6586414

SCHEMBL6586414

CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C(C)(CO)CNC(=O)c4ccccc4O)CC3)cc2OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.54
MMP3 P08254 8/20 0.54
MMP1 P03956 2/20 0.48
MMP9 P14780 2/20 0.48
MMP14 P50281 2/20 0.48
USP5 P45974 1/20 0.36
CHRM3 P20309 1/20 0.35
HTR7 P34969 2/20 0.35
DHODH Q02127 1/20 0.34
ROCK2 O75116 1/20 0.33
QDPR P09417 1/20 0.33
CCR5 P51681 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6586529 0.92 MMP2 (0.65) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588282 0.87 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6590134 0.87 MMP2 (0.66) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588374 0.81 MMP2 (0.70) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6587292 0.80 MMP2 (0.58) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6588416 0.80 MMP2 (0.68) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586134 0.79 MMP3 (0.83) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6586686 0.77 MMP2 (0.60) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6965292 0.77 MMP2 (0.67) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6972711 0.76 MMP2 (0.60) 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 1 patent. 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 claimed