SCHEMBL8924907

SCHEMBL8924907

CCCCCC[C@H](C)Oc1ccc(-c2ccccc2-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
PLA2G4B P0C869 1/20 0.46
XDH P47989 3/20 0.44
PTPN11 Q06124 3/20 0.42
PLA2G2A P14555 1/20 0.41
HCAR3 P49019 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PDK1 Q15118 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SRD5A2 P31213 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
SCHEMBL7169542 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL7169143 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL7169145 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL7169538 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL8176758 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPLA2G4B
Hydrochloric Acid SCHEMBL8922736 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPLA2G4B
Hydrochloric Acid SCHEMBL8922741 0.90 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL3195027 0.89 PTPN11 (0.55) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL8922483 0.89 PTPN11 (0.55) PDE4APDE4BPDE4CPDE4DPLA2G4B
SCHEMBL6421561 0.89 PTPN11 (0.55) 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 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