SCHEMBL13586374

SCHEMBL13586374

CCOCc1ccc(-c2ccc(CCc3ccc(C4=CCC(OC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.31
ABCB1 P08183 1/20 0.30
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

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
SCHEMBL13586153 0.91 NAAA (0.33) GRM2
SCHEMBL13586159 0.91 GRM2 (0.31) GRM2
SCHEMBL12738791 0.89 GBA1 (0.31) GBA1LCTUGCGGBA2MGAM
SCHEMBL12823414 0.88 GBA1 (0.34) ABCB1GBA1LCTUGCGGBA2
SCHEMBL13586413 0.88 S1PR1 (0.33) GRM2
SCHEMBL12718735 0.86 CYP24A1 (0.36) GRM2
SCHEMBL12718040 0.83 FFAR4 (0.34) GRM2
SCHEMBL12717899 0.83 GRM2 (0.31) GRM2
SCHEMBL12717803 0.83 CCNT1 (0.33) GRM2
SCHEMBL12823641 0.82 NAAA (0.39) GRM2

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed