SCHEMBL8799005

SCHEMBL8799005

COc1cccc(-c2ccccc2C(=O)C(=O)c2ccccc2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
SLC6A3 Q01959 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL870485 0.88 NPC1 (0.52) LMNAMAPTL3MBTL1NPC1RAB9A
SCHEMBL8799866 0.88 CES2 (0.51) LMNAMAPTNPC1RAB9ACES2
SCHEMBL27532250 0.87 MAPT (0.51) LMNAMAPTL3MBTL1NPC1RAB9A
SCHEMBL27903906 0.84 HTT (0.56) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL4746226 0.81 SMN1; SMN2 (0.50) LMNAMAPTNPC1RAB9AALDH1A1
SCHEMBL5704292 0.81 RAB9A (0.62) LMNAMAPTNPC1RAB9ACES2
SCHEMBL5242291 0.80 PARP1 (0.51) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL29972427 0.79 CES2 (0.67) LMNAMAPTRAB9ACES2CES1
SCHEMBL27888985 0.78 MAPT (0.51) LMNAMAPTL3MBTL1NPC1RAB9A
SCHEMBL978349 0.78 NPC1 (0.49) MAPTNPC1RAB9AALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed