SCHEMBL4453498

SCHEMBL4453498

Fc1ccc(-c2c(F)c[c]cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
MAOB P27338 1/20 0.35
MAPK14 Q16539 6/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
ERBB2 P04626 1/20 0.34
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL16742436 0.81 CYP1A2 (0.37) TYMPMAOBNPC1RAB9APOLB
SCHEMBL27522806 0.78 TYMP (0.39) TYMPMAPTTTR
SCHEMBL28123521 0.76 NOTUM (0.42)
SCHEMBL9649212 0.76 PTGS2 (0.37) TYMPMAPK14NPC1RAB9APTGS2
SCHEMBL9784280 0.76 ACHE (0.40) MAPK14PTGS2PTGS1
SCHEMBL8326328 0.76 TYMP (0.40) TYMPMAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL13615034 0.74 TTR (0.56) TYMPMAOBMAPK14NPC1RAB9A
SCHEMBL9984825 0.72 BCL2L1 (0.39) MAOBNPC1RAB9AMAPTBCL2L1
SCHEMBL27618481 0.71 GPR35 (0.34)
SCHEMBL150097 0.70 PTGS2 (0.35) MAOBMAPK14NPC1RAB9APTGS2

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 5 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
EP-1865006-B1 Propylene polymer and composition containing the same, molded object and laminate comprising these, and processes for producing propylene polymer and composition containing the same IDEMITSU KOSAN CO (JP) 2009-06-24 EP disclosed
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