SCHEMBL9065256

SCHEMBL9065256

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
THRA P10827 1/20 0.38
LMNA P02545 2/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 1/20 0.33
TYMS P04818 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGFR P00533 1/20 0.31
SLC22A1 O15245 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL10785859 0.86 THRB (0.36) THRBTHRATYMS
SCHEMBL11212312 0.85 THRB (0.34) THRBTHRATSHR
SCHEMBL9064604 0.85 THRB (0.44) THRBTHRATYMSMAPTATM
SCHEMBL8979696 0.84 ATM (0.36) LMNATSHRMAPTATMTDP1
SCHEMBL27888638 0.84 THRB (0.38) THRBTHRATSHRATMTDP1
SCHEMBL869200 0.81 LMNA (0.34) LMNAMAPTPTPN1
SCHEMBL28889861 0.80 THRB (0.40) THRBTHRALMNAADRB2ADRB1
SCHEMBL9064599 0.77 THRB (0.41) THRBTHRAMAPTCYP1A2
SCHEMBL6054116 0.77 THRB (0.39) THRBTHRALMNAADRB2ADRB1
SCHEMBL1833758 0.75 THRB (0.49) THRBTHRATYMSMAPTATM

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
US-5567349-A Photo cross-linkable liquid crystals HOFFMANN-LA ROCHE INC. (US) 1996-10-22 US disclosed
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