SCHEMBL3981815

SCHEMBL3981815

COc1ccc(Oc2ccc(Sc3ccccc3CC(N)=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.67
MMP9 P14780 7/20 0.67
MMP12 P39900 7/20 0.67
MMP14 P50281 2/20 0.62
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G10 O15496 1/20 0.46
PARP10 Q53GL7 1/20 0.44
SLC6A9 P48067 1/20 0.44
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MMP16 P51512 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL316248 0.88 MMP2 (0.85) MMP2MMP9MMP12MMP14MEN1
SCHEMBL314813 0.85 MMP2 (0.86) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315440 0.83 MMP2 (0.92) MMP2MMP9MMP12MMP14MEN1
SCHEMBL8230220 0.82 MEN1 (0.61) MMP2MMP9MMP12MMP14MEN1
SCHEMBL8228138 0.81 MMP2 (0.59) MMP2MMP9MMP12MMP14MEN1
SCHEMBL10049368 0.81 MMP2 (0.62) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315516 0.81 MMP2 (0.87) MMP2MMP9MMP12MMP14MEN1
SCHEMBL8223093 0.81 MMP2 (0.61) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315109 0.80 MMP2 (0.93) MMP2MMP9MMP12MMP14MEN1
SCHEMBL315140 0.80 MMP2 (1.00) MMP2MMP9MMP12MMP14MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009545556-A 2009-12-24 JP claimed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 EP claimed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 WO claimed
EP-2059500-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE Bracco Imaging S.p.A (IT) 2009-05-20 EP disclosed
WO-2008015139-A2 INHIBITORS OF ZINC PROTEASES THIOARYL SUBSTITUTED AND THEIR USE BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed