SCHEMBL28512896

SCHEMBL28512896

CC(C)(C)NC(=O)OCCOCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 5/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 8/20 0.38
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL28514197 1.00 MEN1 (0.42) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL1065814 1.00 MEN1 (0.42) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL28512894 0.90 MEN1 (0.47) MEN1KMT2ATSHRACHETHRB
SCHEMBL19746383 0.89 CYP4F2 (0.41) MEN1KMT2ATSHRACHETHRB
SCHEMBL17660228 0.88 ACHE (0.47) TSHRMAPK1ACHEALDH1A1
SCHEMBL21404617 0.85 MEN1 (0.39) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL27880456 0.85 ABCB11 (0.36) TSHRACHEALDH1A1EPHX2TP53
SCHEMBL29308970 0.85 ABCB11 (0.36) TSHRACHEALDH1A1EPHX2TP53
SCHEMBL23913175 0.83 ACHE (0.32) TSHRACHEALDH1A1TP53HIF1A
SCHEMBL31425438 0.83 ACHE (0.32) TSHRACHEALDH1A1TP53HIF1A

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