SCHEMBL14008802

SCHEMBL14008802

C=C(C)C(=O)OCCOC(=O)NCC(=C)C(=C)CNC(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
TSHR P16473 4/20 0.46
ACHE P22303 8/20 0.40
ALDH1A1 P00352 3/20 0.40
APEX1 P27695 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 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
SCHEMBL30488753 0.85 THRB (0.55) THRBTSHRACHEALDH1A1
SCHEMBL19885344 0.85 THRB (0.55) THRBTSHRACHEALDH1A1APEX1
SCHEMBL890339 0.83 THRB (0.58) THRBTSHRACHEALDH1A1
SCHEMBL2403793 0.83 THRB (0.53) THRBTSHRACHEALDH1A1
SCHEMBL13872030 0.83 THRB (0.53) THRBTSHRACHEALDH1A1
SCHEMBL15128194 0.83 THRB (0.54) THRBTSHRACHEALDH1A1SMN1; SMN2
SCHEMBL13872032 0.81 ACHE (0.58) THRBTSHRACHE
SCHEMBL3707325 0.80 THRB (0.50) THRBTSHRACHEALDH1A1APEX1
SCHEMBL16615635 0.80 THRB (0.50) THRBTSHRACHE
SCHEMBL22035555 0.80 THRB (0.59) THRBTSHRACHEALDH1A1LMNA

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-8481233-B2 Organic photoreceptor, image forming apparatus and process cartridge KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-07-09 US disclosed
US-20080292980-A1 ORGANIC PHOTORECEPTOR, IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-11-27 US disclosed