SCHEMBL5694346

SCHEMBL5694346

CC(=O)OC(CCc1ccc(-c2ccccc2)cc1)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 11/20 1.00
MMP13 P45452 7/20 0.60
MMP2 P08253 1/20 0.60
MMP9 P14780 1/20 0.60
MMP14 P50281 1/20 0.60
FFAR1 O14842 1/20 0.49
MGLL Q99685 1/20 0.45
MME P08473 1/20 0.45
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5613478 0.84 MMP12 (0.73) MMP12MMP13MMP2MMP9MMP14
SCHEMBL14088148 0.82 MMP12 (0.70) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11394897 0.82 MMP12 (0.69) MMP12TSHRHTT
SCHEMBL7279889 0.81 MMP12 (0.68) MMP12TSHRHTT
SCHEMBL14088146 0.80 MMP12 (0.67) MMP12MMP13MMP2MMP9MMP14
SCHEMBL14088134 0.79 MMP12 (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6505903 0.78 MMP12 (0.64) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11875805 0.77 MMP12 (0.69) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4725100 0.76 MMP12 (0.61) MMP12TSHRHTT
SCHEMBL7758600 0.75 MMP12 (0.60) 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-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed