SCHEMBL22472238

SCHEMBL22472238

CC(=O)OCCOC(OC(C)=O)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RAD52 P43351 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL28332904 0.89 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNATDP1PGR
SCHEMBL28506518 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNATDP1KMT2A
SCHEMBL1978808 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1KMT2AMAPT
SCHEMBL25295595 0.84 ALDH1A1 (0.45) ALDH1A1CYP3A4LMNATDP1KMT2A
SCHEMBL28607034 0.84 TDP1 (0.50) ALDH1A1CYP3A4LMNATDP1KMT2A
SCHEMBL3175900 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4LMNATDP1KMT2A
SCHEMBL156451 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4LMNATDP1PGR
SCHEMBL28382844 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4LMNATDP1KMT2A
SCHEMBL28914292 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNATDP1KMT2A
SCHEMBL28395404 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4KMT2AMDM2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116569083-A Laminated film for liquid crystal polarizing film, surface protective film for liquid crystal polarizing film, laminate with liquid crystal polarizing film, and image display device comprising liquid crystal polarizing film 三菱化学株式会社 2023-08-08 CN disclosed
WO-2020196669-A1 COMPOSITION デンカ株式会社 2020-10-01 WO disclosed