SCHEMBL6578667

SCHEMBL6578667

CC(C)(C)OC(=O)N1CCC(S(=O)(=O)CC(CCCc2ccccc2)C(=O)NO)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.51
MMP9 P14780 6/20 0.48
MMP8 P22894 6/20 0.48
MMP2 P08253 5/20 0.48
MMP1 P03956 6/20 0.47
MMP3 P08254 5/20 0.47
GPR119 Q8TDV5 2/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
MMP13 P45452 3/20 0.42
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
TGFBR1 P36897 1/20 0.41
SLC2A1 P11166 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
SCHEMBL6578067 0.91 STS (0.52) STSMMP9MMP8MMP2MMP1
SCHEMBL6575904 0.85 MMP1 (0.55) MMP9MMP8MMP2MMP1MMP3
SCHEMBL6578655 0.82 MMP2 (0.53) MMP9MMP8MMP2MMP1MMP3
SCHEMBL6578119 0.79 MMP2 (0.56) MMP9MMP8MMP2MMP1MMP3
SCHEMBL13938143 0.78 KDM4E (0.67) STSGPR119KDM4EPKMKEAP1
SCHEMBL20137861 0.78 STS (0.68) STSGPR119KDM4EPKMKEAP1
Trifluoroacetic Acid SCHEMBL6578085 0.76 MMP2 (0.51) MMP9MMP8MMP2MMP1MMP3
SCHEMBL6578081 0.76 MMP2 (0.48) MMP9MMP8MMP2MMP1MMP3
SCHEMBL1979688 0.75 STS (0.60) STSGPR119KDM4EPKMKEAP1
SCHEMBL6580421 0.75 KEAP1 (0.48) STSGPR119KDM4EPKMKEAP1

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-0968182-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2004-05-06 EP claimed