SCHEMBL9065182

SCHEMBL9065182

C=CC(=O)Oc1c(C(C)(C)c2ccc(OCC)c(OCC)c2OC(=O)C=C)ccc(OCC)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
THRA P10827 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 2/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL10708460 0.95 THRB (0.38) THRBTHRAALDH1A1HPGDKDM4E
SCHEMBL228775 0.90 THRB (0.39) THRBTHRAALDH1A1HPGDKDM4E
SCHEMBL29385502 0.90 THRB (0.39) THRBTHRAALDH1A1HPGDKDM4E
SCHEMBL11136673 0.87 TSHR (0.35) THRBTHRAALDH1A1HSD17B10HCRTR1
SCHEMBL32674600 0.87 TSHR (0.35) THRBTHRAALDH1A1HSD17B10HCRTR1
SCHEMBL9064599 0.86 THRB (0.41) THRBTHRAALDH1A1HPGDKDM4E
SCHEMBL8926524 0.85 THRB (0.41) THRBTHRAALDH1A1HPGDHSD17B10
SCHEMBL28119567 0.84 THRB (0.45) THRBTHRAALDH1A1HPGDKDM4E
SCHEMBL28006771 0.84 THRB (0.38) THRBTHRASMN1; SMN2NPC1RAB9A
Methacrylic Acid SCHEMBL9099472 0.84 THRB (0.35) THRBTHRAALDH1A1HPGDKDM4E

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