SCHEMBL8931088

SCHEMBL8931088

CCCCOC(O)COC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 5/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
PRKCA P17252 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G4B P0C869 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL19317048 0.88 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10TSHRHPGD
SCHEMBL13224996 0.82 ALDH1A1 (0.59) ALDH1A1ATMLMNAHSD17B10TSHR
SCHEMBL28332117 0.82 ALDH1A1 (0.59) ALDH1A1ATMLMNAHSD17B10TSHR
SCHEMBL13649706 0.82 TSHR (0.54) ALDH1A1ATMLMNATSHRHPGD
Acetic Acid Butyl Ester SCHEMBL28121824 0.81 ALDH1A1 (0.64) ALDH1A1ATMLMNATSHRHPGD
SCHEMBL8735437 0.81 ALDH1A1 (0.57) ALDH1A1ATMLMNAHSD17B10TSHR
SCHEMBL6523890 0.79 ALDH1A1 (0.55) ALDH1A1ATMLMNAHSD17B10TSHR
SCHEMBL14039328 0.79 TSHR (0.62) ALDH1A1ATMHSD17B10TSHRHPGD
SCHEMBL20210844 0.78 ALDH1A1 (0.53) ALDH1A1ATMLMNAHSD17B10TSHR
SCHEMBL215227 0.78 ALDH1A1 (0.53) ALDH1A1ATMLMNAHSD17B10TSHR

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
CN-106673043-B Polyethersulfone resin filling anti-oxidant nano-calcium carbonate of toughness reinforcing uvioresistant and its production and use 河北立信化工有限公司 2017-11-14 CN disclosed
CN-106673043-A Toughening, anti-ultraviolet and anti-oxidization nano calcium carbonate for filling polyethersulfone resin as well as preparation method and application of toughening, anti-ultraviolet and anti-oxidization nano calcium carbonate 石家庄学院 2017-05-17 CN disclosed
EP-0697038-B1 LIQUID DETERGENT COMPOSTION UNILEVER NV (NL) 1997-07-16 EP disclosed