SCHEMBL5670909

SCHEMBL5670909

C/C(=C/C(=O)O)C(=O)OC(=O)/C=C\C(=O)OC(=O)/C(C)=C\C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.39
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 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
SCHEMBL27531631 0.86 HTT (0.32) HCAR2ALDH1A1HTT
SCHEMBL27961336 0.86 HTT (0.32) HCAR2ALDH1A1HTT
SCHEMBL5804761 0.86 HTT (0.32) HCAR2ALDH1A1HTT
SCHEMBL623254 0.85 HTT (0.36) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL20025 0.85 HTT (0.36) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL2408879 0.85 HCAR2 (0.45) HCAR2KEAP1NFE2L2ALDH1A1TSHR
SCHEMBL9418477 0.82
SCHEMBL5804758 0.79 HTT (0.37) ALDH1A1TSHRKDM4EMAPTTDP1
SCHEMBL4390645 0.78 ALDH1A1 (0.36) HCAR2ALDH1A1TSHRKDM4EMAPT
SCHEMBL5071482 0.78 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265972-A4 LUMINESCENT GEL COATS AND MOLDABLE RESINS ORION 21 A D PTY LTD (AU) 2006-12-20 EP disclosed
EP-1265972-A1 LUMINESCENT GEL COATS AND MOLDABLE RESINS Orion 21 A.D. Pty Limited (AU) 2002-12-18 EP disclosed
WO-2001060943-A1 LUMINESCENT GEL COATS AND MOLDABLE RESINS ORION 21 A.D. PTY LIMITED (AU) 2001-08-23 WO disclosed