SCHEMBL7991336

SCHEMBL7991336

CC(C)(C)OC(=O)c1c(CN(C(=O)OCc2ccccc2)S(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
TRPM8 Q7Z2W7 17/20 0.42
CNR2 P34972 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL7990496 0.91 MMP3 (0.51) MMP3TRPM8CNR2KEAP1NFE2L2
SCHEMBL7993217 0.88 MMP3 (0.63) MMP3TRPM8CNR2KEAP1NFE2L2
SCHEMBL7979094 0.81 MMP3 (0.50) MMP3TRPM8KEAP1NFE2L2
SCHEMBL7979048 0.77 MMP3 (0.76) MMP3
SCHEMBL12550326 0.68 STAT5B (0.52) CNR2
SCHEMBL7990098 0.67 MMP3 (0.77) MMP3TRPM8KEAP1NFE2L2
SCHEMBL6411443 0.65 HSD11B1 (0.61)
SCHEMBL12550044 0.64 STAT5B (0.49) TRPM8KEAP1NFE2L2
SCHEMBL1170175 0.62 PTGES (0.74) TRPM8CNR2
SCHEMBL12863697 0.61 CXCR3 (0.69) CNR2

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