SCHEMBL28513329

SCHEMBL28513329

CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.44
BRCA1 P38398 1/20 0.44

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
SCHEMBL27443069 1.00 TSHR (0.49) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL24255365 1.00 TSHR (0.49) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL2575940 1.00 TSHR (0.49) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL14728290 1.00 TSHR (0.49) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL26813489 0.99 TSHR (0.50) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL22515359 0.93 TSHR (0.44) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL12801230 0.91 KMT2A (0.50) TSHRSMN1; SMN2HSD17B10TDP1HPGD
SCHEMBL21070783 0.91 POLB (0.48) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL21071168 0.91 POLB (0.48) TSHRSMN1; SMN2HSD17B10POLBAPEX1
SCHEMBL21070555 0.91 POLB (0.48) TSHRSMN1; SMN2HSD17B10POLBAPEX1

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-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed