SCHEMBL8922836

SCHEMBL8922836

CC=C(C)C(=O)OCC(O)CC(O)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
ENPP2 Q13822 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8955987 0.80 TSHR (0.36) TSHR
SCHEMBL1178580 0.76 TSHR (0.41) TSHR
SCHEMBL10605319 0.74 MAPT (0.42) ALDH1A1MAPTTSHR
SCHEMBL10605323 0.74 MAPT (0.42) ALDH1A1MAPTTSHR
SCHEMBL10649967 0.74 TSHR (0.39) TSHR
SCHEMBL14945 0.74 LMNA (0.43) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL4219082 0.74 TSHR (0.42) MAPTTSHRMAPK1
SCHEMBL8853633 0.74 TSHR (0.42) MAPTTSHRMAPK1
SCHEMBL27606246 0.73 TSHR (0.34) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL873047 0.72 TSHR (0.59) ALDH1A1MAPTHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591563-A POLYACRYLATED DIURETHANE, ACRYLOYLMORPHOLINE TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1997-01-07 US disclosed