SCHEMBL8728232

SCHEMBL8728232

CC=CCOCc1ccc(CCC2CCC(/C=C/C)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.32
MAOB P27338 4/20 0.32
MAOA P21397 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL8728229 1.00 GPR84 (0.32) GPR84MAOBMAOAHTR2AHTR2C
SCHEMBL8728238 1.00 GPR84 (0.32) GPR84MAOBMAOAHTR2AHTR2C
SCHEMBL8728236 1.00 GPR84 (0.32) GPR84MAOBMAOAHTR2AHTR2C
SCHEMBL8725702 0.88 GPR84 (0.32) GPR84MAOBMAOA
SCHEMBL8725692 0.88 GPR84 (0.32) GPR84MAOBMAOA
SCHEMBL8725700 0.88 GPR84 (0.32) GPR84MAOBMAOA
SCHEMBL8725697 0.88 GPR84 (0.32) GPR84MAOBMAOA
SCHEMBL8727018 0.88 TDP1 (0.31)
SCHEMBL8727015 0.88 TDP1 (0.31)
SCHEMBL8727022 0.88 TDP1 (0.31)

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