SCHEMBL8725555

SCHEMBL8725555

C=CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COC)c(F)c4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
NAAA Q02083 7/20 0.32
FAAH O00519 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
GBA1 P04062 2/20 0.30
LCT P09848 2/20 0.30
UGCG Q16739 2/20 0.30
GBA2 Q9HCG7 2/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7026091 0.94 ESR2 (0.34) ESR2NAAAFAAHL3MBTL1
SCHEMBL7033044 0.88 KDM5A (0.32) ESR2
SCHEMBL7026572 0.86 CYP2C9 (0.36) ESR2NAAAFAAH
SCHEMBL7024343 0.84 NAAA (0.35) NAAAFAAHFFAR4GBA1LCT
SCHEMBL7031162 0.84 CYP2C9 (0.43) ESR2NAAAFAAH
SCHEMBL8725535 0.84 NAAA (0.35) NAAAFAAHFFAR4GBA1LCT
SCHEMBL7026842 0.83 KDM5A (0.34) ESR2
SCHEMBL8728697 0.83 ESR2 (0.38) ESR2FAAHL3MBTL1
SCHEMBL8732320 0.83 ESR2 (0.38) ESR2FAAHL3MBTL1
SCHEMBL8732313 0.83 ESR2 (0.38) ESR2FAAHL3MBTL1

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