SCHEMBL8705693

SCHEMBL8705693

O=CC(CCN(Nc1n[nH]c(=S)s1)C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 0.44
MMP1 P03956 6/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8705609 0.85 MMP3 (0.44) MMP3MMP1CA1CA2MMP2
SCHEMBL8708276 0.79 MMP3 (0.45) MMP3MMP1CA1CA2MMP2
SCHEMBL8708488 0.79 MMP3 (0.45) MMP3MMP1CA1CA2MMP2
SCHEMBL8711044 0.77 MMP3 (0.44) MMP3MMP1CA1CA2MMP2
SCHEMBL8705613 0.71 MMP3 (0.51) MMP3MMP1CA1CA2MMP2
SCHEMBL8705387 0.70 MMP3 (0.40) MMP3MMP1CA1CA2MMP2
SCHEMBL8705697 0.69 MMP3 (0.57) MMP3MMP1CA1CA2MMP2
SCHEMBL8708490 0.69 MMP3 (0.52) MMP3MMP1CA1CA2MMP2
SCHEMBL8704476 0.68 MMP3 (0.52) MMP3MMP1CA1CA2MMP2
SCHEMBL8709709 0.67 MMP3 (0.51) MMP3MMP1CA1CA2MMP2

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
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed