SCHEMBL8447705

SCHEMBL8447705

CCCCc1ccc(CC[C@H]2CC[C@H](CCc3cc(F)c(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
PROKR1 Q8TCW9 3/20 0.34
FPR2 P25090 2/20 0.34
MAPT P10636 1/20 0.33
CTRC Q99895 1/20 0.33
HSD11B1 P28845 1/20 0.33
CNR2 P34972 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 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
SCHEMBL8447708 1.00 RARB (0.37) RARBRARARARGGPR84AKR1C2
SCHEMBL8451776 0.97 RARB (0.41) RARBRARARARGGPR84AKR1C2
SCHEMBL8451782 0.97 RARB (0.41) RARBRARARARGGPR84AKR1C2
SCHEMBL8452045 0.95 RARB (0.43) RARBRARARARGGPR84MAPT
SCHEMBL8452049 0.95 RARB (0.43) RARBRARARARGGPR84MAPT
SCHEMBL8452245 0.95 RARB (0.43) RARBRARARARGGPR84MAPT
SCHEMBL8452242 0.95 RARB (0.43) RARBRARARARGGPR84MAPT
SCHEMBL8447369 0.94 SPHK1 (0.40) RARBRARARARGPROKR1
SCHEMBL8447365 0.94 SPHK1 (0.40) RARBRARARARGPROKR1
SCHEMBL8453469 0.93 MAOB (0.39) GPR84NISCHPROKR1FPR2MAPT

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