SCHEMBL11222370

SCHEMBL11222370

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
SLC13A5 Q86YT5 7/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 3/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
CPT2 P23786 1/20 0.31

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
SCHEMBL8507155 0.86 ALDH1A1 (0.58) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL9019583 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL28241617 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27588804 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL144692 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL27572383 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL934375 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL3417196 0.79 ALDH1A1 (0.71) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL28294050 0.78 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
Citric Acid SCHEMBL1332229 0.78 ALDH1A1 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304714-A Sol solution, mixed solution, coating film, method for preparing sol solution and method for preparing coating film 佳能株式会社 2023-12-29 CN disclosed
EP-3735220-A1 TREATMENT OF BLADDER CANCER BY LOCAL ADMINISTRATION OF TAXANE PARTICLES Crititech, Inc. (US) 2020-11-11 EP disclosed
WO-2019136187-A1 TREATMENT OF BLADDER CANCER BY LOCAL ADMINISTRATION OF TAXANE PARTICLES CRITITECH, INC. (US) 2019-07-11 WO disclosed
EP-0000081-B1 ETCH BLEACHING LIQUID. AGFA-GEVAERT N.V. (BE) 1982-03-17 EP disclosed
US-4203765-A HYDROGEN PEROXIDE, CITRIC ACID AND AN ALKYLENE OXIDE POLYMER TO IMPROVE STABILITY AGFA-GEVAERT N.V. (BE) 1980-05-20 US disclosed
EP-0000081-A1 Etch bleaching liquid. AGFA-GEVAERT N.V. (BE) 1978-12-20 EP disclosed