SCHEMBL8658682

SCHEMBL8658682

CC(COc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.72
MMP2 P08253 4/20 0.72
MMP9 P14780 3/20 0.54
MMP13 P45452 3/20 0.54
MMP1 P03956 1/20 0.54
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL7046092 1.00 MMP3 (0.72) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7042806 0.84 MAPT (0.58) MMP3MMP2MAPTSMN1; SMN2NPC1
SCHEMBL8667454 0.84 MAPT (0.58) MMP3MMP2MAPTSMN1; SMN2NPC1
SCHEMBL7045834 0.83 MAPT (0.54) MMP3MMP2MAPTSMN1; SMN2HDAC3
SCHEMBL7048964 0.83 MMP3 (0.55) MMP3MMP2MMP9MMP13MMP1
SCHEMBL9513813 0.75 LMNA (0.78) MAPTSMN1; SMN2LMNACYP1A2GAA
SCHEMBL155771 0.75 LMNA (0.78) MAPTSMN1; SMN2LMNACYP1A2GAA
SCHEMBL14672093 0.75 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL15866588 0.73 LMNA (0.62) LMNAMTNR1AMTNR1B
SCHEMBL31032939 0.73 LMNA (0.62) LMNAMTNR1AMTNR1B

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-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed