SCHEMBL7979048

SCHEMBL7979048

CC(C)(C)OC(=O)c1c(CNS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)ccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.76
KAT6A Q92794 1/20 0.42
CNR1 P21554 1/20 0.41
NR1H2 P55055 1/20 0.41
NAMPT P43490 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39
ACACB O00763 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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) MMP3KAT6ACNR1NAMPTTRPV1
SCHEMBL7990098 0.74 MMP3 (0.77) MMP3KAT6ATRPV1
SCHEMBL7979094 0.73 MMP3 (0.50) MMP3
SCHEMBL26920561 0.72 GAA (0.56) MMP3POLBL3MBTL1
SCHEMBL7993192 0.71 KIF11 (0.48) MMP3ADAMTS4L3MBTL1
SCHEMBL7993862 0.71 MMP3 (0.71) MMP3KAT6A
SCHEMBL27438205 0.71 KEAP1 (0.58) L3MBTL1
SCHEMBL5597888 0.68 GAA (0.71) NAMPTPOLB
SCHEMBL5598318 0.68 POLB (0.60) MMP3NAMPTTRPV1POLBL3MBTL1
SCHEMBL5598267 0.68 NAMPT (0.53) MMP3NAMPTADAMTS4MMP13L3MBTL1

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