SCHEMBL21881544

SCHEMBL21881544

C=CC(=O)OCCOC(=O)N(CC)COC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 4/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 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
SCHEMBL18326723 0.89 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14999215 0.88 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18326722 0.84 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14999221 0.81 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21880896 0.81 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14999289 0.79 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL871692 0.76 MEN1 (0.32)
SCHEMBL38483 0.74
Propane SCHEMBL6904776 0.74 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7457879 0.73 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A

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-10590219-B2 Retardation material-forming resin composition, orientation material, and retardation material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-03-17 US disclosed