SCHEMBL6578081

SCHEMBL6578081

N#Cc1ccc(CN2CCC(S(=O)(=O)CC(CCCc3ccccc3)C(=O)NO)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP8 P22894 5/20 0.48
THRB P10828 1/20 0.48
MMP1 P03956 4/20 0.45
MMP3 P08254 4/20 0.45
CHRM4 P08173 3/20 0.43
FAAH O00519 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PRKAA2 P54646 4/20 0.42
CCR3 P51677 1/20 0.41
CHRM2 P08172 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 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
SCHEMBL6578655 0.92 MMP2 (0.53) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6578658 0.91 THRB (0.48) THRBCHRM4FAAHHRH3PRKAA2
SCHEMBL6580383 0.82 HTR2A (0.50) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6575904 0.79 MMP1 (0.55) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6578119 0.77 MMP2 (0.56) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6578667 0.76 STS (0.51) MMP2MMP9MMP8MMP1MMP3
Trifluoroacetic Acid SCHEMBL6578085 0.74 MMP2 (0.51) MMP2MMP9MMP8MMP1MMP3
SCHEMBL13938131 0.70 SIGMAR1 (0.61)
SCHEMBL6575901 0.69 MMP8 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL7079165 0.69 MMP2 (0.54) MMP2MMP9MMP8MMP1MMP3

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