SCHEMBL7697250

SCHEMBL7697250

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ PLA2G4B P0C869 1/20 0.61
▸ ESR1 P03372 1/20 0.60
▸ PRSS1 P07477 4/20 0.58
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ KMT2A Q03164 2/20 0.55
▸ PTGER4 P35408 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ APAF1 O14727 1/20 0.52
▸ NTSR1 P30989 1/20 0.52

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
SCHEMBL10728889 1.00 THRA (0.65) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL2313353 0.89 THRA (0.67) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL27804692 0.88 KMT2A (0.55) THRATHRBPLA2G4BPRSS1MAPT
SCHEMBL6259180 0.88 PRSS1 (0.56) THRATHRBPLA2G4BPRSS1MAPT
SCHEMBL28748738 0.88 THRA (0.65) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL12431954 0.87 PLA2G4B (0.77) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL9626808 0.87 PLA2G4B (0.77) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL7696499 0.87 PLA2G4B (0.77) THRATHRBPLA2G4BESR1PRSS1
SCHEMBL5913195 0.87 KMT2A (0.62) MAPTALDH1A1RAB9ANPC1PKM
Hydrochloric Acid SCHEMBL6259177 0.87 PRSS1 (0.57) THRATHRBPLA2G4BPRSS1MAPT

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 13 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
US-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 — — 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
EP-0738312-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-23 — — EP disclosed
WO-1996024648-A1 LIQUID-CRYSTALLINE POLYMER MATERIAL LAGERWALL SVEN TORBJOERN (SE) 1996-08-15 — — WO disclosed
WO-1995018848-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-07-13 — — WO disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 — — US disclosed
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