SCHEMBL6681345

SCHEMBL6681345

CCCCCCCCc1ccccc1OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.55
THRA P10827 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
LIPG Q9Y5X9 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTGS2 P35354 2/20 0.51
ALOX5 P09917 1/20 0.51
PPARA Q07869 2/20 0.49
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ATM Q13315 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL6682611 1.00 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL11332609 1.00 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL6441843 1.00 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL6686357 1.00 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL28214185 1.00 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL4059772 0.98 L3MBTL1 (0.55) THRBTHRAL3MBTL1MAPTLIPG
Methoxymethane SCHEMBL28754685 0.96 PTGS2 (0.53) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL6681802 0.92 L3MBTL1 (0.56) THRBTHRAL3MBTL1MAPTNPSR1
SCHEMBL11755272 0.91 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG
SCHEMBL11564959 0.91 THRB (0.55) THRBTHRAL3MBTL1MAPTLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0305612-A1 Method for foam emplacement in carbon dioxide enhanced recovery UNION OIL COMPANY OF CALIFORNIA (US) 1989-03-08 EP disclosed