SCHEMBL7979268

SCHEMBL7979268

COc1ccc(-c2ccc(S(=O)(=O)NCCc3ccc4ccccc4c3C(=O)NO)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 1.00
MEP1B Q16820 1/20 0.51
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
KCNA5 P22460 2/20 0.49
KCNH2 Q12809 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MMP9 P14780 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
MMP16 P51512 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46

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
SCHEMBL7397190 0.84 MMP3 (1.00) MMP3POLBMMP9MMP1MMP2
SCHEMBL7990504 0.81 MMP3 (1.00) MMP3MMP1
SCHEMBL7996909 0.79 MMP3 (1.00) MMP3MMP1
SCHEMBL7394926 0.78 MMP3 (1.00) MMP3MMP9MMP1MMP2MMP14
SCHEMBL7389205 0.74 MMP3 (1.00) MMP3MEP1BMMP9MMP1MMP2
SCHEMBL7990098 0.73 MMP3 (0.77) MMP3
SCHEMBL13234517 0.73 KCNA5 (0.72) ALDH1A1KCNA5KCNH2SMN1; SMN2
SCHEMBL7386826 0.72 MMP3 (1.00) MMP3MEP1BALDH1A1MMP9MMP1
SCHEMBL7398557 0.71 MMP3 (1.00) MMP3
SCHEMBL7389210 0.70 MMP3 (0.90) MMP3

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