SCHEMBL22493973

SCHEMBL22493973

c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCCOCC2CO2)cc1)c1ccc(OCCOCC2CO2)c(OCCOCC2CO2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRK1 P41145 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
GAA P10253 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
SCHEMBL21829163 0.94 ESR1 (0.37) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL29831627 0.94 ESR1 (0.37) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL29420739 0.91 TDP1 (0.44) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL193740 0.91 TDP1 (0.44) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL21829149 0.88 TDP1 (0.41) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL16172297 0.87 TDP1 (0.40) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL16903533 0.86 TDP1 (0.38) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL17985072 0.86 TDP1 (0.43) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL29603533 0.86 TDP1 (0.43) TDP1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL17061460 0.86 ESR1 (0.44) TDP1ALDH1A1TP53TSHRSMN1; SMN2

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