SCHEMBL7758480

SCHEMBL7758480

O=C(O)CC(CCCc1ccc(-c2ccccc2)cc1)C(=O)N(CCO)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.47
MMP12 P39900 3/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
MC3R P41968 1/20 0.47
LPAR1 Q92633 1/20 0.43
MMP3 P08254 3/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.40
FDFT1 P37268 1/20 0.40

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
SCHEMBL7758483 1.00 MMP2 (0.47) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7762107 0.89 MMP2 (0.51) MMP2MMP9MMP14MMP3
SCHEMBL7762108 0.89 MMP2 (0.51) MMP2MMP9MMP14MMP3
SCHEMBL7762255 0.86 MMP2 (0.49) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7765346 0.79 MMP2 (0.47) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7762278 0.78 MMP12 (0.50) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7762276 0.78 MMP12 (0.50) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7758600 0.76 MMP12 (0.60) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7762167 0.75 MMP2 (0.43) MMP2MMP12MMP9MMP13MMP14
SCHEMBL7758658 0.73 MMP2 (0.50) MMP2MMP12MMP9MMP13MMP14

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