SCHEMBL21829151

SCHEMBL21829151

CC=C(O)C(=O)OCCCOc1ccc(C2(c3ccc(OCCCOC(=O)C(O)=CC)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 1/20 0.39
PDK2 Q15119 4/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL21829178 0.87 ESR1 (0.40) ESR1ESR2PDK2L3MBTL1MEN1
SCHEMBL2234170 0.86 ESR1 (0.45) ESR1ESR2PPARGPPARDPPARA
SCHEMBL7073612 0.85 ESR1 (0.44) ESR1ESR2PPARGPPARDPPARA
SCHEMBL22493990 0.84 MEN1 (0.41) PDK2MEN1KMT2ATSHRPOLB
SCHEMBL2231764 0.83 ESR1 (0.44) ESR1ESR2PPARGPPARDPPARA
SCHEMBL21829165 0.81 PPARA (0.37) PPARGPPARDPPARAPOLBTDP1
SCHEMBL2231834 0.81 ESR1 (0.46) ESR1ESR2PPARGPPARDPPARA
SCHEMBL383359 0.79 ESR1 (0.55) ESR1ESR2PDK2ALDH1A1L3MBTL1
SCHEMBL29506867 0.79 ESR1 (0.55) ESR1ESR2PDK2ALDH1A1L3MBTL1
SCHEMBL21405720 0.79 HCAR2 (0.44) ESR1ESR2L3MBTL1MEN1KMT2A

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