SCHEMBL6938802

SCHEMBL6938802

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
LTA4H P09960 4/20 0.47
ESR2 Q92731 1/20 0.47
ADRB3 P13945 3/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
NR5A1 Q13285 1/20 0.44
GPR88 Q9GZN0 4/20 0.42
CYP3A4 P08684 1/20 0.40
AAK1 Q2M2I8 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
SCHEMBL7686129 1.00 FFAR1 (0.50) FFAR1PTGS1SLC6A2LTA4HESR2
SCHEMBL8912305 0.94 FFAR1 (0.54) FFAR1PTGS1SLC6A2LTA4HADRB3
SCHEMBL6937523 0.94 FFAR1 (0.54) FFAR1PTGS1SLC6A2LTA4HADRB3
SCHEMBL10705801 0.91 FFAR1 (0.53) FFAR1GPR88CYP3A4AAK1
SCHEMBL10705795 0.91 FFAR1 (0.53) FFAR1GPR88CYP3A4AAK1
SCHEMBL10746515 0.84 CYP2C9 (0.51) FFAR1ESR2ADRB3GPR88CYP3A4
SCHEMBL10746512 0.84 CYP2C9 (0.51) FFAR1ESR2ADRB3GPR88CYP3A4
SCHEMBL13701273 0.82 FFAR1 (0.42) FFAR1PTGS1SLC6A2ESR2GPR88
SCHEMBL20272973 0.81 LMNA (0.60) PTGS1SLC6A2LTA4HESR2ADRB3
SCHEMBL9638787 0.81 MAPT (0.50) FFAR1PTGS1SLC6A2ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956889-B Color polysilsesquioxane liquid crystal film and preparation method and application thereof 苏州大学 2023-04-25 CN disclosed
CN-113956889-A Colored polysilsesquioxane liquid crystal film and preparation method and application thereof 苏州大学 2022-01-21 CN 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
EP-0471277-B1 Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEM RES (JP) 1995-11-15 EP disclosed
US-5329034-A Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-07-12 US disclosed
EP-0471277-A2 Silanol compounds, polymerizable monomers and polymers having mesogenic groups SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-02-19 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
US-4676925-A Liquid crystalline biphenyl derivatives and mixtures thereof CHISSO CORPORATION (JP) 1987-06-30 US disclosed
EP-0131373-B1 LIQUID CRYSTALLINE BIPHENYL DERIVATIVES AND MIXTURES THEREOF Chisso Corporation (JP) 1986-12-30 EP disclosed
US-4614609-A FERROELECTRICITY; DISPLAY ELEMENTS CHISSO CORPORATION (JP) 1986-09-30 US 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
EP-0131373-A1 Liquid crystalline biphenyl derivatives and mixtures thereof Chisso Corporation (JP) 1985-01-16 EP disclosed