SCHEMBL7765074

SCHEMBL7765074

COC(=O)c1ccc(NC(=O)C(CC2CCCCC2)NCC(CCc2ccccc2)CC(=O)NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.51
MMP1 P03956 13/20 0.51
MMP3 P08254 12/20 0.51
LTA4H P09960 1/20 0.47
MMP7 P09237 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FCER2 P06734 1/20 0.43
ADAM17 P78536 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL7761465 0.92 MMP1 (0.43) MMP2MMP1MMP3NPC1RAB9A
SCHEMBL7763658 0.92 MMP2 (0.47) MMP2MMP1MMP3NPC1RAB9A
Methyl Benzoate SCHEMBL7763173 0.73 MMP2 (0.48) MMP2MMP1MMP3
SCHEMBL7758470 0.71 MMP2 (0.75) MMP2MMP1MMP3
SCHEMBL7761478 0.70 MAPT (0.42) MMP2MMP3NPC1RAB9A
SCHEMBL7765121 0.69 RAB9A (0.45) NPC1RAB9A
SCHEMBL7761449 0.69 MMP2 (0.83) MMP2MMP1MMP3
SCHEMBL7758727 0.69 MMP3 (0.47) MMP2MMP1MMP3MMP7NPC1
SCHEMBL29134529 0.69 RAB9A (0.64) NPC1RAB9A
SCHEMBL29134528 0.69 RAB9A (0.64) NPC1RAB9A

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