SCHEMBL22493971

SCHEMBL22493971

Cc1cc(C2(c3ccc(OCCOCC4CO4)c(C)c3)Cc3ccccc3C2)ccc1OCCOCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
VDR P11473 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 5/20 0.32
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL29831610 0.91 ALDH1A1 (0.37) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL21829170 0.91 ALDH1A1 (0.37) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL22493956 0.85 MEN1 (0.38) ALDH1A1GLATDP1SMN1; SMN2TP53
SCHEMBL20492279 0.82 TDP1 (0.45) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL21829164 0.81 ALDH1A1 (0.40) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL17061460 0.81 ESR1 (0.44) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL30391127 0.81 ESR1 (0.44) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL30970986 0.81 ESR1 (0.44) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL17985077 0.80 ESR1 (0.43) ALDH1A1GLATDP1SMN1; SMN2TSHR
SCHEMBL22493982 0.78 ALDH1A1 (0.36) ALDH1A1GLATDP1SMN1; SMN2TSHR

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