SCHEMBL7696499

SCHEMBL7696499

CCCCCCCCOc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.77
THRA P10827 1/20 0.71
THRB P10828 1/20 0.71
PRSS1 P07477 4/20 0.64
PLA2G2A P14555 1/20 0.61
HCAR3 P49019 2/20 0.60
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
PTPN11 Q06124 1/20 0.57
ESR1 P03372 1/20 0.55
APAF1 O14727 1/20 0.55
MAPT P10636 1/20 0.55
NTSR1 P30989 1/20 0.55
UBE2N P61088 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL9626808 1.00 PLA2G4B (0.77) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL12431954 1.00 PLA2G4B (0.77) PLA2G4BTHRATHRBPRSS1PLA2G2A
Hydrochloric Acid SCHEMBL9627735 0.99 PLA2G4B (0.75) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL27403163 0.99 PLA2G4B (0.74) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL1749792 0.96 PLA2G4B (0.74) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL177201 0.92 PLA2G4B (0.65) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL9626727 0.91 PTPN11 (0.68) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL9626821 0.91 PTPN11 (0.68) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL5343331 0.91 PTPN11 (0.68) PLA2G4BTHRATHRBPRSS1PLA2G2A
SCHEMBL8176761 0.91 PTPN11 (0.68) PLA2G4BTHRATHRBPRSS1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1105163-C Liquid crystal compounds, mixtures and devices SECR DEFENCE (GB) 2003-04-09 CN disclosed
US-6337420-B1 NON-AROMATIC ESTER; EXHIBITS ONE OR MORE SMECTIC PHASES FOR USE IN ELECTROCLINIC DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND DEFENCE EVALUATION RESEARCH AGENCY (GB) 2002-01-08 US disclosed
US-6278028-B1 FOR ELECTROCLINIC DEVICE THE SECRETARY OF STATE FOR IN DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-08-21 US disclosed
US-6242636-B1 SEMETIC ELECTROCLINIC; LOW VOLTAGE RESULTS IN LARGE INDUCED TILT AND IMPROVED CONTRAST RATIO OR IN PHASE MODULATION; TEMPERATURE INDEPENDENT THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND OF DEFENCE EVALUATION AND RESEARCH AGENCY (GB) 2001-06-05 US disclosed
EP-0738312-B1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES SECR DEFENCE (GB) 2000-04-05 EP disclosed
US-5891358-A ELECTROCLINIC DEVICE COMPRISING TWO SPACED CELL WALLS EACH BEARING ELECTRODE STRUCTURES AND TREATED ON AT LEAST ONE FACING SURFACE WITH AN ALIGNMENT LAYER, A LAYER OF A SMECTIC LIQUID CRYSTAL MATERIAL ENCLOSED BETWEEN THE CELL WALLS SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN & NORTHERN IRELAND OF DEFENCE EVALUATION & RESEARCH AGENCY (GB) 1999-04-06 US disclosed
EP-0830440-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL Lagerwall, Sven Yngve Torbjörn (SE) 1998-03-25 EP disclosed
CN-1143382-A Liquid crystal compounds, mixtures and devices SECR DEFENCE (GB) 1997-02-19 CN disclosed
WO-1996024648-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL LAGERWALL SVEN TORBJOERN (SE) 1996-08-15 WO disclosed