SCHEMBL7397190

SCHEMBL7397190

COc1ccc(-c2ccc(S(=O)(=O)CCCc3ccc4ccccc4c3C(=O)NO)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 1.00
MMP9 P14780 3/20 0.48
MMP1 P03956 3/20 0.46
MMP2 P08253 2/20 0.46
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP14 P50281 2/20 0.46
MMP16 P51512 2/20 0.46
MTNR1A P48039 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 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
SCHEMBL7979268 0.84 MMP3 (1.00) MMP3MMP9MMP1MMP2MMP8
SCHEMBL7996909 0.83 MMP3 (1.00) MMP3MMP1MTNR1AHDAC1HDAC8
SCHEMBL7389205 0.82 MMP3 (1.00) MMP3MMP9MMP1MMP2MMP8
SCHEMBL7990504 0.81 MMP3 (1.00) MMP3MMP1HDAC1HDAC8KMT2A
SCHEMBL7990098 0.75 MMP3 (0.77) MMP3
SCHEMBL7389210 0.74 MMP3 (0.90) MMP3HDAC1HDAC8
SCHEMBL7996699 0.73 MMP3 (0.76) MMP3KMT2A
SCHEMBL7398557 0.71 MMP3 (1.00) MMP3HDAC1HDAC8
SCHEMBL7993209 0.71 MMP3 (0.79) MMP3MTNR1AHDAC1HDAC8KMT2A
SCHEMBL7394926 0.71 MMP3 (1.00) MMP3MMP9MMP1MMP2MMP14

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 3 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
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed