SCHEMBL28619035

SCHEMBL28619035

Ic1ccccc1OCCCCCCOC1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4C Q9H3R0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
TGFBR1 P36897 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
P2RX3 P56373 2/20 0.33
IDO1 P14902 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1D P28221 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
SCHEMBL6099052 0.81 KMT2A (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8350940 0.79 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5249245 0.79 KMT2A (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL12510434 0.78 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1423598 0.78 KDM4C (0.37) MEN1KMT2AKDM4CL3MBTL1HRH3
SCHEMBL9335071 0.78 KMT2A (0.61) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6000386 0.77 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL16376197 0.77 MEN1 (0.56) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL1345450 0.77 KDM4C (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8500626 0.76 MEN1 (0.55) 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-113214283-B Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2022-09-30 CN disclosed
CN-113214283-A Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2021-08-06 CN disclosed