SCHEMBL30341925

SCHEMBL30341925

C=CC(=O)OCCNC(=O)OC(COC)COC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL23741835 0.92 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23741938 0.89 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30341924 0.87 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL26078407 0.87 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2602746 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23741854 0.85 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20202285 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17213645 0.85 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18116695 0.84 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13328833 0.83 ALDH1A1 (0.43) ALDH1A1THRBMEN1KMT2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390561-A1 MEDICAL COATING AGENT AND MEDICAL DEVICE TOAGOSEI CO., LTD. (JP) 2024-11-28 US disclosed
WO-2023054499-A1 MEDICAL COATING AGENT AND MEDICAL DEVICE 東亞合成株式会社 2023-04-06 WO disclosed
WO-2023054500-A1 MEDICAL COATING AGENT AND MEDICAL DEVICE 東亞合成株式会社 2023-04-06 WO disclosed