SCHEMBL21829158

SCHEMBL21829158

C=C(C)C(=O)OCCOc1ccc(C2(c3ccc(OCCOC(=O)C(=C)C)c(C)c3)Cc3ccccc3C2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 1/20 0.35
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GRIK2 Q13002 1/20 0.33
THRB P10828 1/20 0.33
PREP P48147 1/20 0.33
RAB9A P51151 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL21829207 0.91 CA1 (0.36) CA1CA2LMNAMAPTTDP1
SCHEMBL21829169 0.86 SLC6A9 (0.41) TDP1POLBAPEX1HTTTHRB
SCHEMBL22493959 0.82 POLB (0.48) CA1CA2LMNAMAPTTDP1
SCHEMBL21829202 0.82 POLB (0.37) CA1CA2LMNAMAPTTDP1
SCHEMBL2231834 0.80 ESR1 (0.46) CA1CA2LMNAMAPTTDP1
SCHEMBL21829145 0.79 POLB (0.34) CA1CA2LMNATDP1NPSR1
SCHEMBL31426927 0.76 TDP1 (0.51) LMNAMAPTTDP1POLBAPEX1
SCHEMBL649097 0.76 TDP1 (0.51) LMNAMAPTTDP1POLBAPEX1
SCHEMBL15356209 0.76 ESR1 (0.42) MAPTTDP1PPARAPOLBAPEX1
SCHEMBL14727691 0.75 PPARA (0.47) CA1CA2LMNATDP1NPSR1

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