SCHEMBL8957604

SCHEMBL8957604

C=C(C)C(=O)OCCOc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OCCOC(=O)C(=C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TDP1 Q9NUW8 3/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 3/20 0.36
PLAU P00749 2/20 0.36
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 2/20 0.32
AR P10275 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AHR P35869 1/20 0.31
MAPT P10636 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
SCHEMBL11185791 0.93 POLB (0.42) THRBTDP1POLBAPEX1HTT
SCHEMBL672151 0.86 ALDH1A1 (0.43) THRBTDP1POLBAPEX1HTT
SCHEMBL1232397 0.86 THRB (0.42) THRBTDP1POLBAPEX1HTT
SCHEMBL6900262 0.85 THRB (0.45) THRBTDP1POLBAPEX1HTT
SCHEMBL8957687 0.84 ALDH1A1 (0.35) THRBKDM4EALDH1A1
SCHEMBL3005159 0.84 HTT (0.36) TDP1POLBAPEX1HTTTSHR
SCHEMBL11172667 0.83 THRB (0.42) THRBTDP1POLBAPEX1HTT
SCHEMBL11170985 0.83 THRB (0.42) THRBTDP1POLBAPEX1HTT
SCHEMBL8957635 0.83 CYP2C19 (0.48) THRBTDP1POLBAPEX1HTT
SCHEMBL8957663 0.82 ALDH1A1 (0.36) THRBCYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US claimed
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0329102-B1 Photosensitive material and volume type phase hologram member formed therefrom CANON KK (JP) 1996-05-01 EP disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed
US-5026618-A Photosensitive material and volume type phase hologram member formed therefrom CANON KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0329102-A2 Photosensitive material and volume type phase hologram member formed therefrom CANON KABUSHIKI KAISHA (JP) 1989-08-23 EP disclosed
US-4369298-A Novel cured resin, process for production thereof, and lens composed of said resin from bis(alkyleneoxyphenyl)-diacrylate, bis(alkyleneoxyphenyl)diallyl ether, bis(alkyleneoxyphenyl)diallyl carbonate monomers TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1983-01-18 US disclosed