SCHEMBL28512894

SCHEMBL28512894

CC(C)(C)NC(=O)OCCCCCOCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
ACHE P22303 13/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
EPHX1 P07099 1/20 0.40
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL28512896 0.90 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1065814 0.90 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28514197 0.90 MEN1 (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL19746383 0.86 CYP4F2 (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28212419 0.86 ACHE (0.54) ACHECYP4F2CYP4A11EPHX1GAA
SCHEMBL28042098 0.86 ACHE (0.54) ACHECYP4F2CYP4A11EPHX1GAA
SCHEMBL13278329 0.84 ACHE (0.51) ACHECYP4F2CYP4A11EPHX1GAA
SCHEMBL17393935 0.82 ACHE (0.44) ACHECYP4F2CYP4A11EPHX1
SCHEMBL17660228 0.82 ACHE (0.47) ACHETSHR
SCHEMBL2641404 0.80 EPHX1 (0.33) ACHECYP4F2CYP4A11EPHX1

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