SCHEMBL25437489

SCHEMBL25437489

C=CC(=O)OCCNC(=O)NCCOC.C=CC(=O)OCCNC(=O)NCCOC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30537436 1.00 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5663537 0.91 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570601 0.89 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3256143 0.86 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13051497 0.86 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570765 0.84 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570592 0.84 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3242792 0.84 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17653601 0.83 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13032961 0.83 TSHR (0.62) 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
WO-2023162926-A1 MEDICAL COATING AGENT AND MEDICAL DEVICE 東亞合成株式会社 2023-08-31 WO disclosed