SCHEMBL8957626

SCHEMBL8957626

C=C(C)C(=O)OCCOC(C)Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(C)OCCOC(=O)C(=C)C)c(Cl)c2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8957714 0.93 THRB (0.33) THRBTSHR
SCHEMBL8957663 0.92 ALDH1A1 (0.36) THRB
SCHEMBL8957687 0.89 ALDH1A1 (0.35) THRB
SCHEMBL8957698 0.86 ALDH1A1 (0.36) THRBTSHRPOLBAPEX1HTT
SCHEMBL8957764 0.85 CYP2C19 (0.38) THRBTSHRPOLBAPEX1HTT
SCHEMBL9067395 0.83 THRB (0.38) THRBTSHRPOLBAPEX1HTT
SCHEMBL8957604 0.82 THRB (0.41) THRBTSHRPOLBAPEX1HTT
SCHEMBL8957603 0.82
SCHEMBL8957726 0.81 ALDH1A1 (0.34) THRBTSHRTDP1
SCHEMBL8957727 0.80 CYP2C19 (0.36) THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed