SCHEMBL8923647

SCHEMBL8923647

CCCCCCC(C)Oc1ccc(-c2ccc(C(=O)OC)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
XDH P47989 1/20 0.42
PLA2G4B P0C869 1/20 0.42
PDK1 Q15118 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCB1 P08183 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.39
AR P10275 1/20 0.39
PELP1 Q8IZL8 1/20 0.39

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
SCHEMBL7168057 1.00 ERN1 (0.46) ERN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7168020 1.00 ERN1 (0.46) ERN1PDE4APDE4BPDE4CPDE4D
SCHEMBL7164836 1.00 ERN1 (0.46) ERN1PDE4APDE4BPDE4CPDE4D
SCHEMBL8924201 0.92 ALDH1A1 (0.48) THRATHRBPLA2G4BPDK1KMT2A
SCHEMBL7169538 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTHRA
SCHEMBL7169143 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTHRA
SCHEMBL7169542 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTHRA
SCHEMBL8176758 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTHRA
SCHEMBL7169145 0.90 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTHRA
SCHEMBL7171414 0.89 PLA2G4B (0.44) PDE4APDE4BPDE4CPDE4DTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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