SCHEMBL7996980

SCHEMBL7996980

O=C(O)c1c(CCCOc2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.69
MCL1 Q07820 4/20 0.50
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL7993490 0.94 MMP3 (0.78) MMP3MCL1TDP1PTGDR2MTNR1A
SCHEMBL7389210 0.88 MMP3 (0.90) MMP3MCL1L3MBTL1MAPTHDAC3
SCHEMBL7991540 0.84 MMP3 (0.76) MMP3MCL1TDP1L3MBTL1PTGDR2
SCHEMBL7398557 0.82 MMP3 (1.00) MMP3L3MBTL1MAPTTAAR1HDAC3
SCHEMBL9348237 0.81 MMP3 (0.69) MMP3MCL1TDP1L3MBTL1PTGDR2
SCHEMBL7990239 0.77 MMP3 (0.78) MMP3
SCHEMBL7993209 0.75 MMP3 (0.79) MMP3MTNR1AMAPTHDAC1HDAC8
SCHEMBL7990037 0.75 MMP3 (0.50) MMP3MCL1L3MBTL1MAPT
SCHEMBL7990034 0.75 MMP3 (0.50) MMP3MCL1L3MBTL1MAPT
SCHEMBL7996795 0.74 MMP3 (0.66) MMP3MCL1TDP1L3MBTL1KCNH2

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