SCHEMBL7990098

SCHEMBL7990098

O=C(NO)c1c(CS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)ccc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.77
TRPV1 Q8NER1 3/20 0.44
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KAT6A Q92794 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL7394926 0.87 MMP3 (1.00) MMP3TRPV1KAT6A
SCHEMBL7993217 0.80 MMP3 (0.63) MMP3KEAP1NFE2L2TRPM8
SCHEMBL7397190 0.75 MMP3 (1.00) MMP3
SCHEMBL7979048 0.74 MMP3 (0.76) MMP3TRPV1KAT6A
SCHEMBL7979268 0.73 MMP3 (1.00) MMP3
SCHEMBL7993862 0.73 MMP3 (0.71) MMP3KAT6A
SCHEMBL7386826 0.73 MMP3 (1.00) MMP3
SCHEMBL1648068 0.71 NCEH1 (0.50) MMP3KEAP1NFE2L2
SCHEMBL7990496 0.70 MMP3 (0.51) MMP3KEAP1NFE2L2TRPM8
SCHEMBL7389205 0.69 MMP3 (1.00) MMP3

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
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed