SCHEMBL6799652

SCHEMBL6799652

O=[C]Cc1ccc(COc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
FFAR1 O14842 4/20 0.54
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MAOB P27338 3/20 0.50
BCHE P06276 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
FFAR4 Q5NUL3 2/20 0.49
CHRNA7 P36544 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL6805048 0.94 LMNA (0.58) APPFFAR1MAPTMAOBBCHE
SCHEMBL2675382 0.84 MAOB (0.61) FFAR1ALDH1A1MAPTMAOBBCHE
SCHEMBL850999 0.83 APP (0.78) APPFFAR1ALDH1A1MAPTMAOB
SCHEMBL6213004 0.82 APP (0.60) APPFFAR1ALDH1A1MAPTMAOB
SCHEMBL8594741 0.81 MAOB (0.59) APPFFAR1ALDH1A1MAPTMAOB
SCHEMBL6804614 0.81 FFAR1 (0.63) FFAR1FFAR4NR4A2
SCHEMBL6809046 0.80 F2 (0.48) APPMAPTMAOBNPC1
SCHEMBL7123532 0.80 LTA4H (0.55) FFAR1FFAR4MAOA
Benzylphenylether SCHEMBL31512112 0.80 LMNA (0.59) APPFFAR1MAPTMAOBBCHE
Benzylphenylether SCHEMBL5172923 0.80 LMNA (0.59) APPFFAR1MAPTMAOBBCHE

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
US-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed