SCHEMBL12296292

SCHEMBL12296292

C=C(C)C(=O)OCc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(COC(=O)C(=C)C)cc4)c4ccc(COC(=O)C(C)=O)cc4)ccc2-3)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2602546 0.96 ALDH1A1 (0.33) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL24394422 0.91 PDK2 (0.36) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL12680057 0.87 THRB (0.41) TSHR
SCHEMBL13148494 0.87 POLB (0.33) MAPT
SCHEMBL14063416 0.84 ALDH1A1 (0.44) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL2602529 0.83 THRB (0.36) TSHR
SCHEMBL2604690 0.83 CYP3A4 (0.36) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL2602527 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HPGDNPC1GAA
SCHEMBL2602477 0.81 PDK2 (0.35) TSHR
SCHEMBL10092978 0.80 THRB (0.35) KDM4EALDH1A1HPGDNPC1GAA

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-20110215303-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE IMAGE FORMING APPARATUS, AND CURED FILM FUJI XEROX CO., LTD. (JP) 2011-09-08 US disclosed
US-20110215303-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE IMAGE FORMING APPARATUS, AND CURED FILM FUJI XEROX CO., LTD. (JP) 2011-09-08 US disclosed