SCHEMBL8923686

SCHEMBL8923686

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.51
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PLA2G4B P0C869 1/20 0.47
ESR1 P03372 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
HCAR3 P49019 2/20 0.41
PRSS1 P07477 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.39
XDH P47989 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
NTSR1 P30989 1/20 0.39
UBE2N P61088 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 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
SCHEMBL8923694 1.00 PDK1 (0.51) PDK1THRATHRBPLA2G4BESR1
SCHEMBL8922732 0.91 PDK1 (0.45) PDK1THRATHRBPLA2G4BESR1
SCHEMBL8924063 0.90 PLA2G4B (0.59) PDK1THRATHRBPLA2G4BESR1
SCHEMBL7692420 0.90 PLA2G4B (0.59) PDK1THRATHRBPLA2G4BESR1
SCHEMBL7692418 0.90 PLA2G4B (0.59) PDK1THRATHRBPLA2G4BESR1
SCHEMBL8924201 0.88 ALDH1A1 (0.48) PDK1THRATHRBPLA2G4BESR1
SCHEMBL8183362 0.87 ALDH1A1 (0.52) PDK1THRATHRBPLA2G4BESR1
SCHEMBL8183369 0.87 ALDH1A1 (0.52) PDK1THRATHRBPLA2G4BESR1
SCHEMBL28748751 0.86 PDK1 (0.57) PDK1GAAHPGDHCAR3PRSS1
SCHEMBL8507535 0.84 PLA2G4B (0.46) PDK1THRATHRBPLA2G4BESR1

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