SCHEMBL22493952

SCHEMBL22493952

Cc1cc(C2(c3cc(C)c(OCC(O)COCC4CO4)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1OCC(O)COCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 5/20 0.35
GLA P06280 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.33
CYP2D6 P10635 3/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL15835632 0.94 ESR1 (0.40) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL22493976 0.88 ESR1 (0.43) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL1673426 0.84 ALDH1A1 (0.47) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL29876754 0.84 ALDH1A1 (0.47) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL21829155 0.84 TDP1 (0.40) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL17061462 0.83 ESR1 (0.40) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL17985079 0.82 ESR1 (0.39) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL22493967 0.82 PRMT5 (0.35) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL10696550 0.78 TDP1 (0.47) ESR1ESR2ALDH1A1GLAMEN1
SCHEMBL23829432 0.78 ESR1 (0.49) ESR1ESR2MEN1KMT2AGAA

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-20200319549-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT HAVING CURED FILM, ORGANIC EL DISPLAY, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY TORAY INDUSTRIES, INC. (JP) 2020-10-08 US disclosed
CN-111164512-A Photosensitive resin composition, cured film, element provided with cured film, organic EL display, and method for manufacturing organic EL display 东丽株式会社 2020-05-15 CN disclosed