SCHEMBL9723746

SCHEMBL9723746

CCCCCOC(C)COc1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.65
LTA4H P09960 3/20 0.61
PLA2G4B P0C869 2/20 0.49
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 2/20 0.44
CNR2 P34972 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RARB P10826 2/20 0.43

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
SCHEMBL9723767 0.98 NR5A1 (0.68) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9723778 0.98 NR5A1 (0.68) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9472144 0.98 NR5A1 (0.68) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9471651 0.94 NR5A1 (0.62) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9488163 0.86 NR5A1 (0.68) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9488139 0.86 NR5A1 (0.68) NR5A1LTA4HPLA2G4BTSHRTP53
Hydroquinone SCHEMBL9723750 0.85 NR5A1 (0.51) NR5A1LTA4HTSHRTP53PTGS1
SCHEMBL9489220 0.85 NR5A1 (0.71) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9514941 0.84 RARB (0.57) NR5A1LTA4HPLA2G4BTSHRTP53
SCHEMBL9515419 0.84 RARB (0.57) NR5A1LTA4HPLA2G4BTSHRTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114613-A High-speed responsive, stable films; controlling the mesomorphic state and temperature CANON KABUSHIKI KAISHA (JP) 1992-05-19 US disclosed
US-4882085-A Lactic acid derivative and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-11-21 US disclosed