SCHEMBL28506271

SCHEMBL28506271

NC(=O)OCCCCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
CYP4F2 P78329 1/20 0.36

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
SCHEMBL28905459 0.98 MEN1 (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22326177 0.96 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22326167 0.96 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL22326195 0.96 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21647630 0.93 TSHR (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL23777349 0.91 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL28612804 0.89 GAA (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5246720 0.84 LMNA (0.41) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2636144 0.84 ACHE (0.46) GAATSHRLMNACHRM2CHRM4
SCHEMBL11752286 0.84 ACHE (0.46) GAATSHRLMNACHRM2CHRM4

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