SCHEMBL7763196

SCHEMBL7763196

CC(O)(CCO)CNC(=O)[C@H](CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
FFAR1 O14842 3/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
GCGR P47871 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38
ADCY4 Q8NFM4 1/20 0.38
MMEL1 Q495T6 1/20 0.37
MMP12 P39900 2/20 0.36
MAPT P10636 2/20 0.36
KCNQ2 O43526 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL9554447 0.70 POLB (0.51) MAPT
SCHEMBL28306756 0.70 L3MBTL1 (0.59) CTSSCTSKFFAR1MMP12PTGS2
SCHEMBL7163969 0.68 FFAR1 (0.53) CTSSCTSKFFAR1MMP12MAPT
SCHEMBL3916057 0.67 FFAR1 (0.53) CTSSCTSKFFAR1BACE1BACE2
SCHEMBL27939444 0.64 L3MBTL1 (0.65) FFAR1PTGS2
SCHEMBL7169658 0.64 FFAR1 (0.55) FFAR1MMP12MAPTPTGS2ADAMTS4
SCHEMBL7858991 0.64 FFAR1 (0.67) FFAR1MMP12PTGS2ADAMTS4
SCHEMBL21237780 0.64 FFAR1 (0.67) FFAR1MMP12PTGS2ADAMTS4
SCHEMBL13059348 0.64 CTSS (0.59) CTSSCTSKBACE1BACE2MAPT
SCHEMBL9554682 0.64 POLB (0.50)

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 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