SCHEMBL7762371

SCHEMBL7762371

COC(=O)c1ccc(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.61
MMP1 P03956 1/20 0.61
MMP7 P09237 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 2/20 0.46
CAPN1 P07384 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP2 P08253 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43

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
SCHEMBL6811143 0.91 MMP1 (0.73) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7758424 0.91 MMP1 (0.73) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7764954 0.87 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7605447 0.87 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7605453 0.87 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL5681291 0.86 ALDH1A1 (0.67) L3MBTL1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL7604865 0.85 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7612289 0.85 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7609075 0.85 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1
SCHEMBL7763103 0.85 MMP3 (0.56) MMP3MMP1MMP7L3MBTL1ALDH1A1

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