SCHEMBL7398557

SCHEMBL7398557

O=C(NO)c1c(CCOc2ccc(-c3ccc(Cl)cc3)cc2)ccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 1.00
SMPD1 P17405 3/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL7389210 0.94 MMP3 (0.90) MMP3SMPD1MAPTL3MBTL1HDAC3
SCHEMBL7396841 0.91 MMP3 (0.83) MMP3SMPD1
SCHEMBL7993490 0.87 MMP3 (0.78) MMP3MAPTTAAR1
SCHEMBL7991540 0.86 MMP3 (0.76) MMP3MAPTL3MBTL1TAAR1
SCHEMBL7978894 0.85 MMP3 (0.74) MMP3
SCHEMBL7996980 0.82 MMP3 (0.69) MMP3MAPTL3MBTL1TAAR1HDAC3
SCHEMBL9348237 0.81 MMP3 (0.69) MMP3MAPTL3MBTL1TAAR1
SCHEMBL7996795 0.80 MMP3 (0.66) MMP3MAPTL3MBTL1
SCHEMBL7386826 0.79 MMP3 (1.00) MMP3
SCHEMBL7990504 0.75 MMP3 (1.00) MMP3HDAC1HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US claimed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 WO claimed