SCHEMBL7697448

SCHEMBL7697448

CCCCCCCCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.61
NR5A1 Q13285 1/20 0.59
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 3/20 0.58
LTA4H P09960 3/20 0.53
CYP19A1 P11511 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.52
PLA2G4B P0C869 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL12972983 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL2356972 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL2356412 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL1792760 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL4867079 1.00 RARB (0.61) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL2357155 0.98 CYP2D6 (0.59) RARBNR5A1CYP3A4CYP2D6LTA4H
SCHEMBL7330936 0.94 CYP2D6 (0.63) RARBCYP3A4CYP2D6LTA4HCYP19A1
SCHEMBL1102341 0.94 NR5A1 (0.66) RARBNR5A1LTA4HTP53TSHR
SCHEMBL8215140 0.94 NR5A1 (0.66) RARBNR5A1LTA4HTP53TSHR
SCHEMBL6740617 0.94 NR5A1 (0.66) RARBNR5A1LTA4HTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425281-B2 Liquid crystal compositions comprising an organogermanium compound and methods for using the same DISPLAYTECH, INC. (US) 2008-09-16 US 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-0628530-B1 ACETYLENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM SUMITOMO CHEMICAL CO (JP) 1999-03-24 EP disclosed
EP-0738312-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-23 EP disclosed
US-5534188-A Acetylene derivatives, process for producing the same, liquid crystal composition containing the same as an active ingredient, and liquid crystal element using said liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-09 US disclosed
WO-1995018848-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-07-13 WO disclosed
EP-0628530-A1 ACETYLENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-12-14 EP disclosed