SCHEMBL7775071

SCHEMBL7775071

CCCCc1ccc(N2CC(c3ccc(O)cc3)OC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 13/20 0.57
FADS1 O60427 2/20 0.47
ESR1 P03372 3/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR2C P28335 1/20 0.42
HSPE1 P61604 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL7776796 0.90 GRM2 (0.51) GRM2FADS1
SCHEMBL7778041 0.89 GRM2 (0.52) GRM2FADS1
SCHEMBL7775308 0.86 GRM2 (0.58) GRM2FADS1
SCHEMBL7775406 0.83 GRM2 (0.56) GRM2FADS1
SCHEMBL7776959 0.83 GRM2 (0.50) GRM2FADS1
SCHEMBL7770531 0.82 GRM2 (0.62) GRM2FADS1
SCHEMBL7775263 0.81 GRM2 (0.50) GRM2ALDH1A1LMNACYP3A4
SCHEMBL7775123 0.81 GRM2 (0.50) GRM2ALDH1A1LMNACYP3A4
SCHEMBL7775283 0.78 FADS1 (0.65) GRM2FADS1ADORA3CYP3A4
SCHEMBL8962973 0.73 GRM2 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683158-B1 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 2001-08-16 EP disclosed
US-5624600-A Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed
EP-0683158-A2 Optically active compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-11-22 EP disclosed