SCHEMBL7996795

SCHEMBL7996795

Clc1ccc(-c2ccc(OCCc3ccc4ccccc4c3Br)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 2/20 0.40
POLB P06746 1/20 0.38
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
BCL2 P10415 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
MAPT P10636 1/20 0.36
MCL1 Q07820 1/20 0.36

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 0.80 MMP3 (0.78) MMP3TDP1BCL2MAPTMCL1
SCHEMBL7398557 0.80 MMP3 (1.00) MMP3L3MBTL1MAPT
SCHEMBL7991540 0.79 MMP3 (0.76) MMP3L3MBTL1TDP1BCL2MAPT
SCHEMBL9348237 0.76 MMP3 (0.69) MMP3L3MBTL1TDP1MAPTMCL1
SCHEMBL7996980 0.74 MMP3 (0.69) MMP3L3MBTL1TDP1KCNH2MAPT
SCHEMBL7389210 0.74 MMP3 (0.90) MMP3L3MBTL1MAPTMCL1
SCHEMBL7399254 0.73 MMP3 (0.43) MMP3L3MBTL1TDP1POLBRXFP1
SCHEMBL7399256 0.73 MMP3 (0.43) MMP3L3MBTL1TDP1POLBRXFP1
SCHEMBL7396841 0.71 MMP3 (0.83) MMP3MCL1
SCHEMBL13321690 0.70 MEN1 (0.39) MMP3KCNH2POLBMAPT

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