SCHEMBL9064604

SCHEMBL9064604

C=CC(=O)Oc1cccc(C(C)(C)c2cccc(OC(=O)C=C)c2OCC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
THRA P10827 1/20 0.44
HCRTR1 O43613 2/20 0.38
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TYMS P04818 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL9064599 0.89 THRB (0.41) THRBTHRAHCRTR1KCNK3KCNK9
SCHEMBL228775 0.88 THRB (0.39) THRBTHRAHCRTR1L3MBTL1ALDH1A1
SCHEMBL29385502 0.88 THRB (0.39) THRBTHRAHCRTR1L3MBTL1ALDH1A1
SCHEMBL28931543 0.87 THRB (0.51) THRBTHRAHCRTR1L3MBTL1GLA
SCHEMBL9065256 0.85 THRB (0.38) THRBTHRATYMSMAPTTDP1
SCHEMBL29636328 0.84 THRB (0.49) THRBTHRAHCRTR1L3MBTL1GLA
SCHEMBL28085570 0.84 THRB (0.49) THRBTHRAHCRTR1L3MBTL1GLA
Propane SCHEMBL27699149 0.83 THRB (0.48) THRBTHRAHCRTR1L3MBTL1GLA
Phenol SCHEMBL5441534 0.83 THRB (0.39) THRBTHRAHCRTR1L3MBTL1GLA
SCHEMBL9064851 0.82 ATM (0.40) HCRTR1KCNK3KCNK9L3MBTL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540003-B1 Cast resin for optical use NOF CORP (JP) 1996-05-08 EP disclosed
US-5336743-A Diallylphthalate component and an alkylene bis-allylcarbonate component NOF CORPORATION (JP) 1994-08-09 US disclosed
EP-0540003-A1 Cast resin for optical use NOF CORPORATION (JP) 1993-05-05 EP disclosed