SCHEMBL7699686

SCHEMBL7699686

CC[C@H](C)COc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
RARB P10826 5/20 0.58
SRD5A2 P31213 1/20 0.58
NR1H4 Q96RI1 2/20 0.57
FFAR1 O14842 1/20 0.56
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 1/20 0.54
PLA2G4B P0C869 2/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49

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
SCHEMBL7699688 1.00 MAPT (0.60) MAPTRARBSRD5A2NR1H4FFAR1
SCHEMBL7696449 0.95 MAPT (0.66) MAPTRARBSRD5A2NR1H4FFAR1
SCHEMBL7696448 0.95 MAPT (0.66) MAPTRARBSRD5A2NR1H4FFAR1
SCHEMBL8084860 0.88 RARB (0.59) RARBSRD5A2NR1H4MAPK1PLA2G4B
SCHEMBL19069626 0.88 MAPT (0.56) MAPTRARBSRD5A2NR1H4FFAR1
SCHEMBL8532496 0.86 RARB (0.72) RARBPLA2G4BTP53TSHR
SCHEMBL10614592 0.86 FFAR1 (0.51) MAPTRARBSRD5A2NR1H4FFAR1
SCHEMBL8080407 0.85 RARB (0.63) RARBSRD5A2NR1H4MAPK1PLA2G4B
SCHEMBL10705801 0.85 FFAR1 (0.53) MAPTFFAR1HSD17B10TSHR
SCHEMBL10705795 0.85 FFAR1 (0.53) MAPTFFAR1HSD17B10TSHR

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 19 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-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-0646636-B1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING & MFG (US) 2000-08-23 EP 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
US-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed
EP-0738312-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-23 EP disclosed
EP-0736078-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-09 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995018848-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-07-13 WO disclosed
WO-1995017481-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-29 WO disclosed
EP-0646636-A1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-05 EP disclosed
US-5399291-A Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed