SCHEMBL7758600

SCHEMBL7758600

CC(=O)C(CCCc1ccc(-c2ccccc2)cc1)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.60
MMP2 P08253 13/20 0.57
MMP9 P14780 1/20 0.57
MMP13 P45452 1/20 0.57
MMP14 P50281 1/20 0.57
MMP3 P08254 4/20 0.53
FFAR1 O14842 1/20 0.50

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
SCHEMBL7763242 0.86 MMP2 (0.52) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7763247 0.86 MMP2 (0.52) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7761567 0.80 MMP2 (0.60) MMP2MMP3
SCHEMBL7761563 0.80 MMP2 (0.60) MMP2MMP3
SCHEMBL5744885 0.80 HDAC2 (0.49) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7765346 0.79 MMP2 (0.47) MMP12MMP2MMP9MMP13MMP14
SCHEMBL16980966 0.78 MMP12 (0.69) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7319632 0.78 GRIK1 (0.64) MMP2MMP3
SCHEMBL7762255 0.78 MMP2 (0.49) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7765152 0.78 MMP2 (0.55) MMP12MMP2MMP3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed