SCHEMBL28664150

SCHEMBL28664150

C=CCOCCOC(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL262290 0.83 MEN1 (0.39) TSHRALDH1A1HSD17B10TDP1MEN1
SCHEMBL28514212 0.83 TSHR (0.33) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13032941 0.79 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL23198789 0.77 ALDH1A1 (0.41) TSHRALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL2608209 0.77 HPGD (0.37) TSHRALDH1A1TDP1MEN1POLB
SCHEMBL29308970 0.77 ABCB11 (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28512896 0.77 MEN1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1065814 0.77 MEN1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14219513 0.77 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28514197 0.77 MEN1 (0.42) TSHRALDH1A1TP53HIF1AHSD17B10

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
CN-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed