SCHEMBL9289014

SCHEMBL9289014

CC(O)CCCc1cc(CCCC(C)O)cc(CCCC(C)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
PTGS2 P35354 3/20 0.37
CYP3A4 P08684 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL22528225 0.87 PTGS2 (0.55) TYRPTGS2CYP3A4
SCHEMBL28127638 0.81 PTGS2 (0.35) TYRPTGS2CYP3A4GPR84NPC1
SCHEMBL10235676 0.80 LPL (0.47) GRIN2DGRIN2AGRIN2BGRIN2CNPC1
SCHEMBL560468 0.79 CYP2D6 (0.49) HPGDMAPK1
SCHEMBL10472566 0.79 CYP2D6 (0.49) HPGDMAPK1
SCHEMBL2571201 0.79 CYP2D6 (0.49) HPGDMAPK1
SCHEMBL9123014 0.79 GRIN2D (0.46) PTGS2CYP3A4GPR84GRIN2DGRIN2A
SCHEMBL2314999 0.79 PTGS2 (0.60) TYRPTGS2CYP3A4
SCHEMBL16448430 0.79 PTGS2 (0.60) TYRPTGS2CYP3A4
SCHEMBL12242288 0.79 GAA (0.48) TYRCYP3A4HPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 US claimed
US-5438142-A Tris(hydroxyphenyl)ethanes having ketone, bromine, sulfonate, or amine groups as condensation polymer modifiers; photostabilizers, flame retardants, discoloration inhibitors, antisoilants, antioxidants HOECHST CELANESE CORP. (US) 1995-08-01 US disclosed
US-5344980-A Process for the preparation of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORP. (US) 1994-09-06 US disclosed
US-5344980-A Process for the preparation of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORP. (US) 1994-09-06 US disclosed
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 US disclosed
US-5300698-A Process for the prepartion of 1,3,5-tris(4'-hydroxyaryl)benzene HOECHST CELANESE CORPORATION (US) 1994-04-05 US disclosed
US-5300559-A Tris/p-hydroxyphenyl/benzene ether alkyleneoxy amine or modified polyethers; chemical intermediates HOECHST CELANESE CORPORATION (US) 1994-04-05 US disclosed
WO-1993014065-A1 PROCESS FOR PREPARING 1,3,5- TRIS(4'-HYDROXYPHENYL)BENZENE AND ITS DERIVATIVES HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed
WO-1993014053-A1 PROCESS FOR THE PREPARATION OF 1,3,5-TRIS(4'-HYDROXYARYL)BENZENE HOECHST CELANESE CORPORATION (US) 1993-07-22 WO disclosed