SCHEMBL5532653

SCHEMBL5532653

C=C(C)C(=O)OCCCCCCCCCCCCNC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.43
ACHE P22303 12/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PAOX Q6QHF9 1/20 0.38

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
SCHEMBL10072805 1.00 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL27776277 0.98 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2462214 0.93 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL25467812 0.89 ACHE (0.49) TSHRTHRBACHE
SCHEMBL30484793 0.87 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16309328 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16385235 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16384917 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2720550 0.86 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL491194 0.86 THRB (0.48) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070218390-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGES, PRODUCTION METHOD THEREOF; DEVELOPER, IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY LTD. (JP) 2007-09-20 US disclosed