SCHEMBL7993490

SCHEMBL7993490

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

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.78
MCL1 Q07820 2/20 0.46
BCL2 P10415 1/20 0.45
PTGER4 P35408 1/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PLA2G4A P47712 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 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
SCHEMBL7996980 0.94 MMP3 (0.69) MMP3MCL1FFAR1FFAR4PTGDR2
SCHEMBL7991540 0.89 MMP3 (0.76) MMP3MCL1BCL2PTGER4FFAR1
SCHEMBL7398557 0.87 MMP3 (1.00) MMP3MAPTTAAR1
SCHEMBL9348237 0.87 MMP3 (0.69) MMP3MCL1FFAR1FFAR4PTGDR2
SCHEMBL7389210 0.82 MMP3 (0.90) MMP3MCL1MAPT
SCHEMBL7996795 0.80 MMP3 (0.66) MMP3MCL1BCL2MAPTTDP1
SCHEMBL7396841 0.79 MMP3 (0.83) MMP3MCL1
SCHEMBL7990239 0.78 MMP3 (0.78) MMP3
SCHEMBL9344540 0.77 MMP3 (0.56) MMP3MCL1FFAR1MTNR1AMTNR1B
SCHEMBL7990037 0.76 MMP3 (0.50) MMP3MCL1PTGER4MAPT

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