SCHEMBL30475161

SCHEMBL30475161

C=CC(=O)OC1COC(=O)c2ccccc2C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
TYMS P04818 1/20 0.33
THRB P10828 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 3/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 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
SCHEMBL22127287 0.77
SCHEMBL8411052 0.75
SCHEMBL16821946 0.73
Ethylene Glycol SCHEMBL11598890 0.72 TSHR (0.34)
1,4-Butanediol SCHEMBL11598479 0.70 TSHR (0.33)
SCHEMBL31461456 0.68 GSK3B (0.30) TYMS
Propene SCHEMBL29022547 0.68 MAOA (0.35) SMN1; SMN2MAOAMAOBALDH1A1CYP1A2
SCHEMBL2400356 0.66
Acrylic Acid SCHEMBL30561172 0.66 AKT1 (0.41) SMN1; SMN2MAOAMAOBLMNAALDH1A1
Biphenyl SCHEMBL28422659 0.66 MGLL (0.39) SMN1; SMN2THRBMEN1KMT2ARAB9A

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
CN-110383171-B Photosensitive resin composition for flexographic printing plate, flexographic printing original plate, flexographic printing plate, and copolymer 旭化成株式会社 2023-07-28 CN disclosed