SCHEMBL6661260

SCHEMBL6661260

C/C=C/CC[C@H]1CC[C@H](c2ccc(C(F)(F)OCCc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
GRM2 Q14416 1/20 0.31
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SCN9A Q15858 1/20 0.30
DRD2 P14416 2/20 0.30
DRD4 P21917 2/20 0.30
DRD3 P35462 2/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HTR2C P28335 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
SCHEMBL6666595 0.93 ALDH1A1 (0.33) ALDH1A1HTR2C
SCHEMBL6664938 0.91 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6663497 0.90 MAOB (0.37) ALDH1A1HTR2C
SCHEMBL6665820 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6661314 0.89 ESR2 (0.33) ALDH1A1
SCHEMBL6667617 0.89 ALDH1A1 (0.40) ALDH1A1HRH3
SCHEMBL6661222 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6663860 0.88 GRM2 (0.32) GCGRSLC6A4SLC6A3KDM1ARCOR1
SCHEMBL6664028 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6664960 0.87

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed