SCHEMBL8533556

SCHEMBL8533556

CCCCCCCCCCOc1ccc(C(=O)OC2CCc3cc(C(=O)OCc4ccccc4)ccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAOK3 Q9H2K8 4/20 0.45
TAOK1 Q7L7X3 3/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G4B P0C869 3/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PLK1 P53350 1/20 0.40
RARB P10826 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 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
SCHEMBL8535829 0.88 TP53 (0.55) TAOK3TAOK1TP53TSHRPLA2G4B
SCHEMBL8764265 0.87 MCHR1 (0.43) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL8533378 0.84 PTPN11 (0.46) TAOK3TAOK1TP53TSHRPLA2G4B
SCHEMBL8532626 0.84 TAOK3 (0.44) TAOK3TAOK1TP53TSHRPLA2G4B
SCHEMBL20830500 0.80 TSHR (0.62) TP53TSHRALDH1A1CYP3A4MAPK1
SCHEMBL3553425 0.79 LMNA (0.47) ALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL8536524 0.78 TP53 (0.40) TAOK3TP53TSHRPLA2G4BPTPN2
SCHEMBL3553593 0.78 LMNA (0.46) ALDH1A1TDP1CHRNB2CHRNA5CHRNA7
SCHEMBL9323915 0.78 PLA2G2A (0.56) TP53TSHRALDH1A1CYP3A4MAPK1
SCHEMBL13350445 0.77 TSHR (0.44) TP53TSHRALDH1A1CYP3A4MAPK1

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-5776365-A COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST MITSUI CHEMICALS, INC. (JP) 1998-07-07 US disclosed
US-5725798-A CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed
EP-0549347-B1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL IND (JP) 1997-10-29 EP disclosed
EP-0617109-B1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-09-17 EP disclosed
EP-0566380-B1 Carboxylic acid ester compound, liquid crystal material, liquid crystal compositions and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-08-06 EP disclosed
EP-0566379-B1 Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-07-23 EP disclosed
US-5422039-A Having a chiral center-containing a tetralinylene ring as well as a second chiral center; cells having high temperature operating range; high switching speed, low voltage and stable contrast MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-06-06 US disclosed
EP-0467662-B1 Liquid crystal racemic mixture, liquid crystal composition and liquid crystal element, process for manufacturing and uses thereof MITSUI PETROCHEMICAL IND (JP) 1995-02-15 EP disclosed
US-5352379-A Mixture of antiferroelectric liquid crystal and cholesteric liquid crystal MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-10-04 US disclosed
EP-0617109-A1 Liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-28 EP disclosed
EP-0401961-B1 Carboxylic acid esters and their use in liquid crystal compositions MITSUI PETROCHEMICAL IND (JP) 1994-09-14 EP disclosed
US-5346646-A Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-09-13 US disclosed
US-5322639-A Display elements; high speed switching MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-06-21 US disclosed
EP-0566379-A2 Tetralin compound, liquid crystal material, liquid crystal composition and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed
EP-0566380-A2 Carboxylic acid ester compound, liquid crystal material, liquid crystal compositions and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed
US-5246622-A LIQUID CRYSTAL RACEMIC MIXTURE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT, PROCESS FOR MANUFACTURING LIQUID CRYSTAL ELEMENT, AND USES OF LIQUID CRYSTAL ELEMENT MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0549347-A1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
US-5143644-A Small, lightweight replacement for cathode ray tube in office equipment MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0467662-A2 Liquid crystal racemic mixture, liquid crystal composition and liquid crystal element, process for manufacturing and uses thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-01-22 EP disclosed