SCHEMBL1021032

SCHEMBL1021032

COc1ccc(Oc2ccc(S(=O)(=O)N3CCc4cc(OCCn5ccnc5)ccc4C3OC(=O)NO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.49
MMP9 P14780 6/20 0.49
MMP2 P08253 5/20 0.49
MMP12 P39900 5/20 0.49
MMP14 P50281 5/20 0.49
MMP15 P51511 5/20 0.49
MMP16 P51512 5/20 0.49
MMP26 Q9NRE1 5/20 0.49
MMP7 P09237 4/20 0.49
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
TBXAS1 P24557 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
BCHE P06276 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL1021990 0.93 CACNA1B (0.43) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021973 0.93 MMP1 (0.47) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1022854 0.92 MMP1 (0.48) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021988 0.88 MMP1 (0.63) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021485 0.87 CACNA1B (0.43) MMP1MMP9MMP2MMP12MMP14
SCHEMBL3534142 0.86 MMP1 (0.52) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021277 0.86 MMP1 (0.53) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1022853 0.86 MMP1 (0.53) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1021792 0.84 TBXAS1 (0.44) MMP1MMP9MMP2MMP12MMP14
SCHEMBL1024080 0.84 MMP1 (0.53) MMP1MMP9MMP2MMP12MMP14

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
EP-1869001-B1 SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE SANOFI AVENTIS (FR) 2011-01-12 EP disclosed