SCHEMBL8453469

SCHEMBL8453469

CCCc1ccc(CC[C@H]2CC[C@H](CCc3cc(F)c(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
PROKR1 Q8TCW9 3/20 0.35
FPR2 P25090 2/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PRCP P42785 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
CCR3 P51677 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL8453472 1.00 MAOB (0.39) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8453697 0.93 MAOA (0.35) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8453692 0.93 MAOA (0.35) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8447705 0.93 RARB (0.37) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8447708 0.93 RARB (0.37) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8452201 0.93 GPR84 (0.38) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8452209 0.93 GPR84 (0.38) MAOBMAOAGPR84PROKR1FPR2
SCHEMBL8451782 0.92 RARB (0.41) GPR84PROKR1FPR2NPC1RAB9A
SCHEMBL8451776 0.92 RARB (0.41) GPR84PROKR1FPR2NPC1RAB9A
SCHEMBL8452045 0.91 RARB (0.43) GPR84MAPT

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-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed