SCHEMBL28135293

SCHEMBL28135293

O=C(c1ccccc1)[C@]1(O)[C@H](O)[C@H](O)O[C@H]1[C@H](O)CO

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.32
NEU1 Q99519 1/20 0.31
NEU2 Q9Y3R4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.31
EPHX1 P07099 1/20 0.30
HK1 P19367 1/20 0.30
HK2 P52789 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
SCHEMBL28135295 1.00 PRKCA (0.32) PRKCANEU1NEU2ALDH1A1TRPA1
SCHEMBL28448346 0.75 HK1 (0.41) ALDH1A1EPHX1HK1HK2
SCHEMBL28448343 0.75 HK1 (0.41) ALDH1A1EPHX1HK1HK2
SCHEMBL28975466 0.70 CES2 (0.34) HIF1AEPHX1
SCHEMBL9767764 0.69 CES1 (0.46) ALDH1A1TRPA1MAPK1GSK3BHIF1A
SCHEMBL9767838 0.69 CES1 (0.46) ALDH1A1TRPA1MAPK1GSK3BHIF1A
SCHEMBL9767756 0.69 CES1 (0.46) ALDH1A1TRPA1MAPK1GSK3BHIF1A
SCHEMBL10822077 0.69 LMNA (0.34) HIF1A
SCHEMBL8718314 0.69 LMNA (0.38) PRKCANEU1NEU2ALDH1A1TRPA1
SCHEMBL9457300 0.68 CES1 (0.44) ALDH1A1TRPA1MAPK1GSK3BHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107814987-A One kind is paddled environment-friendly antirust nitrile rubber 安徽龙川橡塑科技有限公司 2018-03-20 CN claimed
CN-106756914-A Modified lithium metasilicate aqueous protective fluids of a kind of antibacterial environment protection type α D glucofuranoses and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-31 CN disclosed
CN-106756912-A Modified lithium metasilicate aqueous protective fluids of a kind of antifouling environment-friendly type α D glucofuranoses and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-31 CN disclosed
CN-106756913-A Modified lithium metasilicate aqueous protective fluids of a kind of good film-forming property environment-friendly type α D glucofuranoses and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-31 CN disclosed
CN-106756915-A Modified lithium metasilicate aqueous protective fluids of the good environment-friendly type α D glucofuranoses of a kind of heat endurance and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-31 CN disclosed
CN-106756911-A Modified lithium metasilicate aqueous protective fluids of a kind of carbon dust antioxidation environmental protection type α D glucofuranoses and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-31 CN disclosed
CN-106635337-A Flexible and environment-friendly alpha-D-glucofuranose modified lithium silicate water-based rust preventing liquid and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-10 CN disclosed
CN-106637166-A Environment-friendly alpha-D-glucofuranose modified lithium silicate water-based antirust solution with good sealing property and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-05-10 CN disclosed
CN-106590094-A Wear-resisting and environment-friendly type alpha-D-glucofuranose modified lithium silicate water-based antirust liquid and preparation method thereof 天长市润达金属防锈助剂有限公司 2017-04-26 CN disclosed