SCHEMBL22493953

SCHEMBL22493953

C(COc1nc(OCCOCC2CO2)nc(OCCOCC2CO2)n1)OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 8/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.39
TP53 P04637 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 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
SCHEMBL10963909 0.90 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL487480 0.81 TDP1 (0.48) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL22418810 0.80 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17197994 0.80 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL20094 0.80 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16684221 0.80 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13583289 0.78 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL21932618 0.78 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Etoglucid SCHEMBL8442 0.78 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8621977 0.78 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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 1 patent. 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