SCHEMBL7991540

SCHEMBL7991540

NC(=O)c1c(CCOc2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.76
PARP10 Q53GL7 2/20 0.43
MAPT P10636 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
BCL2 P10415 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGER4 P35408 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL7993490 0.89 MMP3 (0.78) MMP3MAPTFFAR1FFAR4BCL2
SCHEMBL7398557 0.86 MMP3 (1.00) MMP3MAPTL3MBTL1TAAR1
SCHEMBL7996980 0.84 MMP3 (0.69) MMP3MAPTFFAR1FFAR4L3MBTL1
SCHEMBL9348237 0.83 MMP3 (0.69) MMP3MAPTFFAR1FFAR4L3MBTL1
SCHEMBL7389210 0.81 MMP3 (0.90) MMP3MAPTL3MBTL1MCL1
SCHEMBL7996795 0.79 MMP3 (0.66) MMP3MAPTBCL2L3MBTL1MCL1
SCHEMBL7396841 0.78 MMP3 (0.83) MMP3MCL1
SCHEMBL9344540 0.74 MMP3 (0.56) MMP3FFAR1MCL1NPC1RAB9A
SCHEMBL31613079 0.72 MTNR1A (0.43) MMP3PARP10TDP1
SCHEMBL9345664 0.71 MMP3 (0.54) MMP3MAPTFFAR1FFAR4L3MBTL1

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