SCHEMBL8731971

SCHEMBL8731971

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.37
GPR84 Q9NQS5 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL8731976 1.00 MAOB (0.37) MAOBGPR84MAOA
SCHEMBL8725242 0.96 GPR84 (0.39) MAOBGPR84MAOA
SCHEMBL8725245 0.96 GPR84 (0.39) MAOBGPR84MAOA
SCHEMBL8731223 0.88 MAOB (0.37) MAOBGPR84MAOA
SCHEMBL8731226 0.88 MAOB (0.37) MAOBGPR84MAOA
SCHEMBL8730566 0.87 MAOB (0.36) MAOBGPR84MAOA
SCHEMBL8730570 0.87 MAOB (0.36) MAOBGPR84MAOA
SCHEMBL8730561 0.87 MAOB (0.36) MAOBGPR84MAOA
SCHEMBL8727345 0.86 ACP1 (0.33) GPR84
SCHEMBL8727629 0.86 TDP1 (0.32)

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