SCHEMBL7758588

SCHEMBL7758588

COC(=O)c1ccc(NC(=O)C(NCC(CC(=O)O)CC(C)C)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.47
MMP1 P03956 2/20 0.47
MMP7 P09237 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
STAT3 P40763 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MMP2 P08253 4/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7758581 0.83 MMP3 (0.61) MMP3MMP1MMP7L3MBTL1GAA
SCHEMBL7762295 0.83 MMP2 (0.62) MMP3MMP2
SCHEMBL7763110 0.77 POLB (0.51) MMP3MMP1MMP7L3MBTL1GAA
SCHEMBL7763096 0.72 MMP3 (0.80) MMP3MMP1MMP7L3MBTL1GAA
SCHEMBL7763178 0.72 MMP2 (0.74) MMP3MMP2
SCHEMBL7762285 0.71 MMP2 (0.82) MMP3MMP2
SCHEMBL7411002 0.71 AAK1 (0.60) MMP3MMP1MMP7L3MBTL1GAA
SCHEMBL13336876 0.69 MEN1 (0.47) L3MBTL1GAAALDH1A1HPGDMEN1
SCHEMBL7762371 0.69 MMP3 (0.61) MMP3MMP1MMP7L3MBTL1GAA
SCHEMBL13691167 0.68 CA1 (0.60) L3MBTL1GAAALDH1A1HPGDSTAT3

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