SCHEMBL8725458

SCHEMBL8725458

C=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(COC)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
MAOB P27338 4/20 0.35
ERN1 O75460 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR6 P50406 1/20 0.32
MAOA P21397 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL8725462 1.00 GPR84 (0.39) GPR84MAOBERN1PTGS2HTR6
SCHEMBL8731226 0.96 MAOB (0.37) GPR84MAOBMAOA
SCHEMBL8731223 0.96 MAOB (0.37) GPR84MAOBMAOA
SCHEMBL8730566 0.94 MAOB (0.36) GPR84MAOBMAOA
SCHEMBL8730561 0.94 MAOB (0.36) GPR84MAOBMAOA
SCHEMBL8730570 0.94 MAOB (0.36) GPR84MAOBMAOA
SCHEMBL8731269 0.91 ERN1 (0.32) GPR84ERN1PTGS2HTR6HRH3
SCHEMBL8731264 0.91 ERN1 (0.32) GPR84ERN1PTGS2HTR6HRH3
SCHEMBL8725242 0.89 GPR84 (0.39) GPR84MAOBERN1PTGS2HTR6
SCHEMBL8725245 0.89 GPR84 (0.39) GPR84MAOBERN1PTGS2HTR6

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
EP-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed