SCHEMBL17216232

SCHEMBL17216232

C=C(C)C(=O)OCC(C)C.C=C(C)C(=O)OCCO.C=C(C)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 4/20 0.39
CTSK P43235 4/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
SLC15A1 P46059 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL3504972 0.91 ALDH1A1 (0.54) TSHRALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL3047393 0.88 ALDH1A1 (0.50) TSHRALDH1A1
Methacrylic Acid SCHEMBL4890718 0.88 ALDH1A1 (0.51) TSHRALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL8067939 0.84 ALDH1A1 (0.49) TSHRALDH1A1LMNASMN1; SMN2TDP1
Ethylene Glycol SCHEMBL28231454 0.83 ALDH1A1 (0.59) TSHRALDH1A1LMNASMN1; SMN2TDP1
Glycerin SCHEMBL8033558 0.82 ALDH1A1 (0.43) TSHRALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL2221927 0.82 ALDH1A1 (0.40) TSHRALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL628706 0.82 TSHR (0.54) TSHRALDH1A1LMNACTSKCTSB
SCHEMBL6862165 0.82 TSHR (0.54) TSHRALDH1A1LMNACTSLCTSK
SCHEMBL13234425 0.82 ALDH1A1 (0.66) TSHRALDH1A1LMNASMN1; SMN2TDP1

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
EP-2940081-A1 CURABLE RESIN COMPOSITION, INFRARED CUT-OFF FILTER, AND SOLID-STATE IMAGING ELEMENT USING SAME FUJIFILM Corporation (JP) 2015-11-04 EP disclosed
EP-2940090-A1 CURABLE RESIN COMPOSITION FOR FORMING INFRARED-REFLECTING FILM, INFRARED-REFLECTING FILM AND MANUFACTURING METHOD THEREFOR, INFRARED CUT-OFF FILTER, AND SOLID-STATE IMAGING ELEMENT USING SAME FUJIFILM Corporation (JP) 2015-11-04 EP disclosed