SCHEMBL8705378

SCHEMBL8705378

C=CCCC(CC(C)C)(NC(=O)OCc1ccccc1)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.45
MMP1 P03956 6/20 0.45
MMP2 P08253 2/20 0.41
CTSS P25774 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8705382 0.72 MMP3 (0.45) MMP3MMP1MMP2CA1CA2
SCHEMBL6961636 0.72 CTSK (0.59) MMP3MMP1MMP2CTSS
SCHEMBL6961631 0.72 CTSK (0.59) MMP3MMP1MMP2CTSS
SCHEMBL6968687 0.71 MMP3 (0.56) MMP3MMP1MMP2CTSSCA2
SCHEMBL6968692 0.71 MMP3 (0.56) MMP3MMP1MMP2CTSSCA2
SCHEMBL6957808 0.71 MMP3 (0.55) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6957803 0.71 MMP3 (0.55) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6963121 0.70 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6969997 0.70 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL8981480 0.69 CTSS (0.58) CTSSALDH1A1

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