SCHEMBL21829207

SCHEMBL21829207

C=C(C)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C(=C)C)c(OCCOC(=O)C(=C)C)c3)Cc3ccccc3C2)cc1OCCOC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
HTT P42858 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
APEX1 P27695 1/20 0.35
THRB P10828 1/20 0.35
CASP6 P55212 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PDE4B Q07343 2/20 0.32
MPI P34949 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21829158 0.91 CA1 (0.37) CA1CA2HTTPOLBTDP1
SCHEMBL21829169 0.88 SLC6A9 (0.41) HTTPOLBTDP1APEX1THRB
SCHEMBL22493959 0.84 POLB (0.48) CA1CA2HTTPOLBTDP1
SCHEMBL21829145 0.81 POLB (0.34) CA1CA2HTTPOLBTDP1
SCHEMBL819025 0.79 ESR1 (0.39) CA1CA2HTTPOLBTDP1
SCHEMBL10580556 0.78 THRB (0.50) HTTPOLBTDP1APEX1THRB
SCHEMBL19009924 0.76 THRB (0.38) CA1CA2HTTPOLBTDP1
SCHEMBL15338837 0.76 THRB (0.45) CA1CA2HTTPOLBTDP1
SCHEMBL12458558 0.76 POLB (0.47) HTTPOLBTDP1APEX1THRB
SCHEMBL21829175 0.75 POLB (0.41) HTTPOLBTDP1APEX1THRB

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
US-11561470-B2 Negative photosensitive resin composition, cured film, element provided with cured film, organic EL display provided with cured film, and method for producing same TORAY INDUSTRIES, INC. (JP) 2023-01-24 US disclosed
US-20200110337-A1 NEGATIVE PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT PROVIDED WITH CURED FILM, ORGANIC EL DISPLAY PROVIDED WITH CURED FILM, AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES, INC. (JP) 2020-04-09 US disclosed