SCHEMBL13569401

SCHEMBL13569401

C=CC(=O)OC(COC(=O)C(=C)C)COc1ccc(-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.37
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TDP1 Q9NUW8 2/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
TSPO P30536 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
SCHEMBL13569399 0.98 LTB4R2 (0.36) LTB4R2PPARGPPARAPOLBKDM4E
SCHEMBL13569398 0.93 THRB (0.37) LTB4R2THRBPOLBNPC1RAB9A
SCHEMBL13569405 0.92 MAPT (0.37) THRBPOLBNPC1RAB9ATDP1
SCHEMBL13569406 0.91 MAPT (0.35) PPARGPPARATHRBPOLBNPC1
SCHEMBL13569417 0.91 MAPT (0.37) PPARGPPARATHRBPOLBNPC1
SCHEMBL13569402 0.90 THRB (0.33) PPARGPPARATHRBPOLBKDM4E
SCHEMBL13569411 0.90 CHKA (0.34) POLBNPC1TDP1APEX1HTT
SCHEMBL13569414 0.89 THRB (0.37) THRBPOLBNPC1RAB9ATDP1
SCHEMBL13569404 0.89 AR (0.34) POLBTDP1APEX1HTTMAPT
SCHEMBL13569415 0.89 CTDSP1 (0.35) PPARGPPARATHRBKDM4ENPC1

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-7629094-B2 Electrophotographic photoreceptor, and image forming method, image forming apparatus and process cartridge therefor using the electrophotographic photoreceptor RICOH COMPANY, LTD. (JP) 2009-12-08 US disclosed