SCHEMBL9019583

SCHEMBL9019583

O=C(O)CC(O)(CC(=O)O[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC13A5 Q86YT5 5/20 0.32
ACLY P53396 3/20 0.32
CYP2D6 P10635 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL28241617 0.98 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL28294050 0.86 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL11222370 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27919876 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL8507155 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL19066408 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL6363387 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL5049508 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL1900557 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL4728788 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106348554-A Sludge treatment agent and preparation method thereof 郑州诚合信息技术有限公司 2017-01-25 CN claimed
CN-105839092-A Steel surface zirconium oxide conversion plating solution and preparing method thereof 无锡伊佩克科技有限公司 2016-08-10 CN claimed
CN-112675837-A Carbon four selective hydrogenation catalyst, preparation method and application thereof 中国石油化工股份有限公司 2021-04-20 CN disclosed
CN-109777421-A A kind of europium ion Eu3+The red fluorescence powder of activation, preparation method and application 常州工程职业技术学院 2019-05-21 CN disclosed
CN-107910433-A A kind of production method of high temperature superconducting materia 广西塔锡科技有限公司 2018-04-13 CN disclosed
CN-106892571-A The manufacture method and glass substrate of glass substrate 旭硝子株式会社 2017-06-27 CN disclosed
CN-106348554-A Sludge treatment agent and preparation method thereof 郑州诚合信息技术有限公司 2017-01-25 CN disclosed
CN-105839092-A Steel surface zirconium oxide conversion plating solution and preparing method thereof 无锡伊佩克科技有限公司 2016-08-10 CN disclosed
EP-0469675-B1 Hydrodesulphurization process AKZO NOBEL NV (NL) 1996-05-08 EP disclosed
US-5246569-A Nickel and vanadium catalysts on alumina and phosphorous oxide AKZO N.V. (NL) 1993-09-21 US disclosed
EP-0469675-A1 Hydrodesulphurization process Akzo Nobel N.V. (NL) 1992-02-05 EP disclosed