SCHEMBL7172091

SCHEMBL7172091

CCCCCC[C@H](C)Oc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
PLA2G4B P0C869 1/20 0.41
ESR1 P03372 1/20 0.41
PDK1 Q15118 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.40
XDH P47989 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALPG P10696 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL7172094 1.00 THRA (0.42) THRATHRBPLA2G4BESR1PDK1
SCHEMBL8925044 0.91 XDH (0.43) THRATHRBPLA2G4BESR1PDK1
SCHEMBL8925050 0.91 XDH (0.43) THRATHRBPLA2G4BESR1PDK1
SCHEMBL8958675 0.85 MAPT (0.49) THRATHRBPLA2G4BPDK1GAA
SCHEMBL7690021 0.85 THRA (0.39) THRATHRBPLA2G4BESR1PDK1
SCHEMBL8958671 0.85 MAPT (0.49) THRATHRBPLA2G4BPDK1GAA
SCHEMBL7690017 0.85 THRA (0.39) THRATHRBPLA2G4BESR1PDK1
SCHEMBL7692418 0.84 PLA2G4B (0.59) THRATHRBPLA2G4BESR1PDK1
SCHEMBL7692420 0.84 PLA2G4B (0.59) THRATHRBPLA2G4BESR1PDK1
SCHEMBL8924063 0.84 PLA2G4B (0.59) THRATHRBPLA2G4BESR1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569504-B1 Dimers of LC-like compounds in which the monomers are linked to each other through a high birefringence moiety (dimerization linker) DISPLAYTECH, INC. 2003-05-27 US disclosed
US-6139771-A USEFUL IN ELECTOOPTICAL AND NON-LINEAR OPTICAL APPLICATIONS DISPLAYTECH, INC. (US) 2000-10-31 US disclosed
US-5658493-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-08-19 US disclosed
US-5637256-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-06-10 US disclosed
US-5543078-A A CHIRAL NONRACEMIC COMPOUND UNIVERSITY RESEARCH CORPORATION (US) 1996-08-06 US disclosed
WO-1992020058-A2 FERROELECTRIC LIQUID CRYSTALS FOR NONLINEAR OPTICS APPLICATIONS UNIVERSITY RESEARCH CORPORATION (US) 1992-11-12 WO disclosed