SCHEMBL27545596

SCHEMBL27545596

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.55
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1884148 0.92 HCAR2 (0.42) HCAR2ALDH1A1MAPTTDP1ATM
SCHEMBL1880535 0.92 HCAR2 (0.42) HCAR2ALDH1A1MAPTTDP1ATM
SCHEMBL8641318 0.82 HCAR2 (0.53) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL8812196 0.82 HCAR2 (0.53) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL29084608 0.80 HCAR2 (0.57) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL27127631 0.80 HCAR2 (0.57) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL8742013 0.80 HCAR2 (0.57) HCAR2ALDH1A1KDM4EMAPTTDP1
SCHEMBL2021411 0.79 HCAR2 (0.59) HCAR2ALDH1A1ATMTSHRTP53
SCHEMBL7022068 0.79 HCAR2 (0.59) HCAR2ALDH1A1ATMTSHRTP53
SCHEMBL809870 0.79 HCAR2 (0.59) HCAR2ALDH1A1ATMTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100529798-C Plastic lens material, plastic lens composition, plastic lens obtained by curing the composition and process for producing the plastic lens SHOWA DENKO KK (JP) 2009-08-19 CN disclosed
CN-1281975-C Composition for optical material, optical material and plastic lens NOF CORP (JP) 2006-10-25 CN disclosed
CN-1522374-A Plastic lens material, plastic lens composition, plastic lens obtained by curing the composition, and method for producing the plastic lens 昭和电工株式会社 2004-08-18 CN disclosed
CN-1461417-A Composition for optical material, optical material and plastic lens NOF CORP (JP) 2003-12-10 CN disclosed