SCHEMBL7763115

SCHEMBL7763115

CNC(=O)CC(C)(C)CNC(=O)C(CC(=O)O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
ADAMTS4 O75173 1/20 0.33
SUCNR1 Q9BXA5 5/20 0.33
MAPT P10636 2/20 0.33
MMEL1 Q495T6 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP12 P39900 1/20 0.32

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
SCHEMBL7410195 0.78 MMP2 (0.50) MMP12
SCHEMBL7410197 0.78 MMP2 (0.50) MMP12
SCHEMBL7608035 0.71 SUCNR1 (0.36) ALDH1A1HPGDPOLBKDM4EMEN1
SCHEMBL7610751 0.68 MAPK1 (0.49) ALDH1A1HPGDMMEL1
SCHEMBL7405181 0.68 MAPK1 (0.49) ALDH1A1HPGDMMEL1
SCHEMBL7403500 0.68 MMP2 (0.43) MMP12
SCHEMBL7608028 0.68 MMP2 (0.43) MMP12
SCHEMBL7607948 0.66 LTA4H (0.38) ALDH1A1
SCHEMBL7763196 0.64 CTSS (0.44) ADAMTS4MAPTMMEL1CTSSCTSK
SCHEMBL11865707 0.64 ALDH1A1 (0.50) ALDH1A1HPGDPOLBMEN1KMT2A

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 2 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 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