SCHEMBL29028237

SCHEMBL29028237

C=CC(=O)OC(C)COc1ccc(C2(c3ccc(OCC(C)OC(=O)C=C)c(OCC(C)OC(=O)C=C)c3)Cc3ccccc3C2)cc1OCC(C)OC(=O)C=C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
SLC22A1 O15245 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 1/20 0.30
ADRB3 P13945 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
SCHEMBL29028361 0.92 PPARA (0.35) LMNACYP1A2CYP2D6KDM4EMEN1
SCHEMBL29028287 0.89 PTGDR2 (0.36) LMNACYP2D6KDM4EMEN1ALDH1A1
SCHEMBL28407215 0.85 THRB (0.36) LMNACYP2D6MEN1HTTKMT2A
SCHEMBL22493992 0.83 PIN1 (0.33)
SCHEMBL29028173 0.82 CYP2D6 (0.33) ADRB2ADRB1CYP2D6ADRB3
SCHEMBL28397881 0.80 ESR1 (0.37) LMNAADRB2ADRB1SLC22A1CYP1A2
SCHEMBL11512126 0.79 ADRB2 (0.43) LMNAADRB2ADRB1SLC22A1CYP1A2
SCHEMBL29028234 0.77 THRB (0.40) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL29028235 0.76 PDK2 (0.35) LMNAKDM4EMEN1KMT2AMAPT
SCHEMBL29028186 0.75 POLB (0.34) LMNACYP1A2MEN1HTTKMT2A

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-110392864-B Negative photosensitive resin composition, cured film, element and organic EL display having cured film, and method for producing same 东丽株式会社 2023-05-23 CN disclosed