SCHEMBL8325840

SCHEMBL8325840

Nc1cccc(-c2ccc(CCC(O)CC(=O)O)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 13/20 0.74
MMP13 P45452 10/20 0.74
MMP2 P08253 2/20 0.74
MMP9 P14780 1/20 0.74
MMP14 P50281 1/20 0.74
MME P08473 1/20 0.54
MAOA P21397 1/20 0.45
MCL1 Q07820 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FFAR1 O14842 1/20 0.43
MMP3 P08254 1/20 0.43

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
SCHEMBL8325290 0.86 MMP12 (0.77) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613354 0.85 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613400 0.85 MMP12 (0.76) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613327 0.84 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613739 0.84 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613445 0.81 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL12646502 0.80 FFAR1 (0.69) MMP12MMEMAOAMCL1CYP17A1
SCHEMBL5613749 0.80 MMP12 (0.67) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613741 0.79 MMP12 (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613401 0.78 MMP12 (0.79) MMP12MMP13MMP2MMP9MMP14

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-1654213-B1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LTD (GB) 2007-05-23 EP disclosed
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed