SCHEMBL24628489

SCHEMBL24628489

C=CC(=O)NCCOC(=O)CCCCC(=O)OCCN

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 4/20 0.36
DGKA P23743 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.33
TLR2 O60603 1/20 0.33
EPHX2 P34913 3/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DNM1 Q05193 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
SCHEMBL24614114 0.92 ZDHHC20 (0.46) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL24628488 0.87 ALDH1A1 (0.34) ALDH1A1MAPTTHRBCNR1ZDHHC20
SCHEMBL20380058 0.85 TSHR (0.46) ALDH1A1MAPTZDHHC20ZDHHC2TSHR
SCHEMBL28449675 0.84 ZDHHC20 (0.44) ALDH1A1MAPTTHRBCNR1ZDHHC20
SCHEMBL8024262 0.83 ZDHHC20 (0.63) ALDH1A1MAPTZDHHC20ZDHHC2TSHR
SCHEMBL26478808 0.79 ZDHHC20 (0.51) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL10080347 0.79 TSHR (0.45) ALDH1A1MAPTZDHHC20ZDHHC2TSHR
SCHEMBL20380059 0.79 ALDH1A1 (0.41) ALDH1A1MAPTZDHHC20ZDHHC2TSHR
SCHEMBL22820647 0.78 TSHR (0.39) ALDH1A1ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL19376370 0.77 DGKA (0.54) ALDH1A1MAPTTHRBCNR1TSHR

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
WO-2022150659-A1 DEVICES AND METHODS FOR ANALYZING BIOLOGICAL SAMPLES Cellanome, Inc. (US) 2022-07-14 WO disclosed