SCHEMBL22490553

SCHEMBL22490553

CCC(=O)OSOC(=O)CC.[CaH2]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
ESR1 P03372 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 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
SCHEMBL625367 0.97 ALDH1A1 (0.41) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL20593400 0.94 ALDH1A1 (0.39) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL20593347 0.94 ALDH1A1 (0.39) ALDH1A1NAAATDP1FFAR3MGAM
SCHEMBL10881640 0.87 ALDH1A1 (0.36) ALDH1A1NAAATDP1FFAR3TSHR
Tridecane SCHEMBL27976809 0.85 NAAA (0.56) ALDH1A1NAAATDP1ESR1KMT2A
SCHEMBL11720139 0.83 NAAA (0.34) ALDH1A1NAAAMGAMGAASI
Maleic Acid SCHEMBL28157627 0.83 HCAR2 (0.45) ALDH1A1FFAR3GAAKMT2ATSHR
SCHEMBL29222916 0.79 NAAA (0.32) ALDH1A1NAAATSHR
SCHEMBL10010765 0.79 CA1 (0.34) ALDH1A1NAAAMGAMGAASI
SCHEMBL2767905 0.79 ALDH1A1 (0.41) ALDH1A1NAAATDP1FFAR3MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3284779-B1 MODIFIED POLYMER COMPOSITION AND STABILIZER MIXTURE FOR MAKING THE SAME FDC LEES CO LTD (TW) 2020-10-07 EP disclosed