SCHEMBL8902120

SCHEMBL8902120

CC1(c2ccc(OCc3noc(-c4ccc(C(F)(F)F)cc4)n3)cc2)OC(=O)N(Nc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.49
PPARG P37231 9/20 0.47
PPARA Q07869 9/20 0.47
PPARD Q03181 7/20 0.47
ADORA2B P29275 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SPHK1 Q9NYA1 3/20 0.43
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 1/20 0.38
SMPD1 P17405 1/20 0.37

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
SCHEMBL8902452 0.79 SIRT1 (0.39) PPARA
SCHEMBL8893717 0.78 SIRT1 (0.36) SMPD1
SCHEMBL9202236 0.73 SIRT1 (0.37)
SCHEMBL8903156 0.72 L3MBTL1 (0.46) POLBL3MBTL1
SCHEMBL8892678 0.72 SIRT1 (0.36)
SCHEMBL8893403 0.71 MAPT (0.36) FFAR1POLBL3MBTL1
Famoxadone SCHEMBL673443 0.71 MMP2 (0.42)
Famoxadone SCHEMBL63351 0.71 MMP2 (0.42)
SCHEMBL9545818 0.71 MAOB (0.44) FFAR1MAOB
SCHEMBL13806776 0.70 HSD11B1 (0.39)

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
WO-1997038997-A1 SUBSTITUTED OXAZOLIDINEDIONES AND THEIR USE AS FUNGICIDES ZENECA LIMITED (GB) 1997-10-23 WO disclosed