SCHEMBL28520536

SCHEMBL28520536

NC(=O)OCCOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HTR1A P08908 1/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.32
CYP2C19 P33261 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
SCHEMBL25213709 0.90 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29055398 0.86 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29055399 0.85 MEN1 (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11994833 0.83 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18519812 0.82 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11539684 0.81 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL20608690 0.81 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL15914347 0.80 KMT2A (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL20764819 0.80 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9788 0.80 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116997547-A Granulin precursor modulators and methods of use thereof 阿库达医疗公司 2023-11-03 CN disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed