SCHEMBL26944286

SCHEMBL26944286

C=CC(=O)OCCNCCNCCOC(=O)C=C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
ALDH1A1 P00352 5/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.52
THRB P10828 2/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12860057 0.98 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11431242 0.90 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL305937 0.88 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11922536 0.88 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5576395 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL109192 0.85 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL278176 0.85 ALDH1A1 (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL377121 0.85 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11920343 0.85 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28676875 0.84 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4

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-2023235976-A1 POLYCATION CARRIER PARTICLE ALLARTA LIFE SCIENCE INC. (CA) 2023-12-14 WO disclosed