SCHEMBL6799098

SCHEMBL6799098

Fc1ccc(-c2[c]cc(F)cc2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAOB P27338 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
NFE2L2 Q16236 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BCL2L1 Q07817 1/20 0.30
BAD Q92934 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL16742435 0.86 NPC1 (0.35) NPC1RAB9A
SCHEMBL12488049 0.78 TAAR1 (0.41) MAPT
SCHEMBL8072989 0.76 ESR1 (0.32)
SCHEMBL17514467 0.73
SCHEMBL5863299 0.72 NFE2L2 (0.31) NFE2L2
SCHEMBL17514868 0.71 NISCH (0.38) ALDH1A1NPC1RAB9A
SCHEMBL7566027 0.71 NPC1 (0.39) ALDH1A1PTGS2NPC1RAB9A
SCHEMBL9784274 0.71 ACHE (0.41) ALDH1A1PTGS2PTGS1NFE2L2MAPT
SCHEMBL150096 0.70 MAOB (0.32) MAOBNFE2L2NPC1RAB9ABCL2L1
SCHEMBL9649202 0.69 MEN1 (0.35) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US claimed
US-20040116489-A1 Synthetic excitatory amino acids ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1370519-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002068380-A1 SYNTHETIC EXCITATORY AMINO ACIDS ELI LILLY AND COMPANY (US) 2002-09-06 WO disclosed