SCHEMBL7700499

SCHEMBL7700499

CCCCCCCCCCOc1ccc(-c2ccc(O[C@H](C)CCCCCC)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.51
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 8/20 0.44
LMNA P02545 3/20 0.44
RARB P10826 3/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
XDH P47989 2/20 0.41
CRHBP P24387 1/20 0.40

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
SCHEMBL7700503 1.00 PLA2G4B (0.51) PLA2G4BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7696630 0.91 PLA2G4B (0.47) PLA2G4BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7696628 0.91 PLA2G4B (0.47) PLA2G4BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4270500 0.91 PLA2G4B (0.52) PLA2G4BNPC1SMN1; SMN2POLBNFKB1
SCHEMBL29382893 0.91 PLA2G4B (0.52) PLA2G4BNPC1SMN1; SMN2POLBNFKB1
SCHEMBL8924412 0.91 PLA2G4B (0.52) PLA2G4BNPC1SMN1; SMN2POLBNFKB1
SCHEMBL7165690 0.90 PLA2G4B (0.58) PLA2G4BRARB
SCHEMBL7168694 0.90 PLA2G4B (0.58) PLA2G4BRARB
SCHEMBL7188692 0.88 XDH (0.44) PLA2G4BNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8926782 0.88 PLA2G4B (0.53) PLA2G4BNPC1SMN1; SMN2POLBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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