SCHEMBL7169145

SCHEMBL7169145

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4C Q08493 3/20 0.51
PDE4D Q08499 3/20 0.51
PLA2G4B P0C869 1/20 0.50
PTPN11 Q06124 1/20 0.50
XDH P47989 1/20 0.48
RARB P10826 7/20 0.44
HCAR3 P49019 2/20 0.44
SRD5A2 P31213 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK1 Q15118 1/20 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
SCHEMBL7169143 1.00 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL7169542 1.00 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL8176758 1.00 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL7169538 1.00 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
Hydrochloric Acid SCHEMBL8922741 0.99 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPLA2G4B
Hydrochloric Acid SCHEMBL8922736 0.99 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL8924063 0.91 PLA2G4B (0.59) PLA2G4BHCAR3THRATHRBPDK1
SCHEMBL7692420 0.91 PLA2G4B (0.59) PLA2G4BHCAR3THRATHRBPDK1
SCHEMBL7692418 0.91 PLA2G4B (0.59) PLA2G4BHCAR3THRATHRBPDK1
SCHEMBL8924907 0.91 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPLA2G4B

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-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