SCHEMBL7043100

SCHEMBL7043100

CC(C)(C)ONC(=O)CCOc1ccc(-c2cccc(CC#N)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.74
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
FFAR1 O14842 4/20 0.40
LTA4H P09960 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL2679907 0.85 MMP3 (1.00) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7046473 0.80 MMP3 (0.89) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7043273 0.73 MMP3 (0.77) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7047645 0.71 ALDH1A1 (0.44) MMP3MMP2MMP1MMP9MMP13
SCHEMBL4001097 0.70 MMP3 (0.82) MMP3CTSBCTSSCTSK
SCHEMBL4009763 0.70 MMP3 (0.82) MMP3CTSBCTSSCTSK
SCHEMBL2680161 0.69 MMP3 (0.67) MMP3MMP2MMP1MMP9MMP13
SCHEMBL7045342 0.69 HDAC1 (0.51) MMP3LTA4HLMNAHDAC1HDAC2
SCHEMBL30504282 0.68 MMP3 (0.79) MMP3FFAR1
SCHEMBL4665401 0.68 MMP3 (0.56) 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
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed