SCHEMBL6937523

SCHEMBL6937523

CC[C@H](C)COc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PTGS1 P23219 2/20 0.53
SLC6A2 P23975 2/20 0.53
LTA4H P09960 4/20 0.52
NR5A1 Q13285 1/20 0.48
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
GPR88 Q9GZN0 4/20 0.45
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8912305 1.00 FFAR1 (0.54) FFAR1PTGS1SLC6A2LTA4HNR5A1
SCHEMBL7686129 0.94 FFAR1 (0.50) FFAR1PTGS1SLC6A2LTA4HNR5A1
SCHEMBL6938802 0.94 FFAR1 (0.50) FFAR1PTGS1SLC6A2LTA4HNR5A1
SCHEMBL9638787 0.86 MAPT (0.50) FFAR1PTGS1SLC6A2LMNACYP1A2
SCHEMBL6936519 0.86 MAPT (0.50) FFAR1PTGS1SLC6A2LMNACYP1A2
SCHEMBL7785554 0.85 LTA4H (0.50) PTGS1SLC6A2LTA4HNR5A1ADRB2
SCHEMBL6940346 0.84 GPBAR1 (0.49) FFAR1PTGS1SLC6A2ADRB2ADRB1
SCHEMBL9779521 0.84 GPBAR1 (0.49) FFAR1PTGS1SLC6A2ADRB2ADRB1
SCHEMBL10705801 0.83 FFAR1 (0.53) FFAR1GPR88LMNACYP2C19
SCHEMBL10705795 0.83 FFAR1 (0.53) FFAR1GPR88LMNACYP2C19

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1071834-A None JP disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
US-5563230-A POLYETHERSILOXANES NATIONAL SCIENCE COUNCIL (TW) 1996-10-08 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-5250222-A Optically active compounds used for liquid crystalline mixtures HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0258578-B1 LIQUID CRYSTAL COMPOUNDS HAVING ETHER TAIL MOIETY POLAROID CORPORATION (US) 1993-01-07 EP disclosed
EP-0304738-A2 Optically active liquid-crystal components F. HOFFMANN-LA ROCHE AG (CH) 1989-03-01 EP disclosed
EP-0136845-B1 LIQUID CRYSTALLINE CARBONIC ACID ESTERS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1988-06-01 EP disclosed
EP-0258578-A2 Liquid crystal compounds having ether tail moiety POLAROID CORPORATION (US) 1988-03-09 EP disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0256303-A2 Liquid crystal compounds having fluorine-containing core POLAROID CORPORATION (US) 1988-02-24 EP disclosed
EP-0255236-A2 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-03 EP disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed
US-4589996-A DISPLAY ELEMENTS;HIGH RESPONSE VELOCITY CHISSO CORPORATION (JP) 1986-05-20 US disclosed
EP-0136845-A2 Liquid crystalline carbonic acid esters and liquid crystal compositions containing the same Chisso Corporation (JP) 1985-04-10 EP disclosed
US-3975286-A Low voltage actuated field effect liquid crystals compositions and method of synthesis BECKMAN INSTRUMENTS, INC. (US) 1976-08-17 US disclosed