SCHEMBL8727006

SCHEMBL8727006

CCCCCc1cc([C@H]2CC[C@H](C(C)C)CC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
SPHK1 Q9NYA1 2/20 0.39
ALOX5 P09917 4/20 0.38
PTGS2 P35354 3/20 0.38
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL8730868 0.84 CYP2C9 (0.42) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8727009 0.84 CYP2C9 (0.42) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8727598 0.81 SPHK1 (0.39) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8727605 0.81 SPHK1 (0.39) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL10523484 0.81 CYP2C9 (0.40) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8727050 0.80 ALOX5 (0.39) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8727051 0.80 ALOX5 (0.39) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8727054 0.80 ALOX5 (0.39) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8728057 0.79 ALOX5 (0.38) HTR2ASPHK1ALOX5PTGS2SLC6A2
SCHEMBL8728053 0.79 ALOX5 (0.38) HTR2ASPHK1ALOX5PTGS2SLC6A2

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