SCHEMBL29055398

SCHEMBL29055398

O=C(OCCOC1CCCCO1)OCCOC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4C Q9H3R0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA3 P0DMS8 1/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX1 P07099 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31

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
SCHEMBL26923978 0.90 MEN1 (0.53) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29055399 0.88 MEN1 (0.51) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL28520536 0.86 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11994833 0.86 MEN1 (0.47) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL26924040 0.86 MEN1 (0.42) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18519812 0.85 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL18468270 0.85 MEN1 (0.42) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL16398691 0.84 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL20608690 0.83 MEN1 (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL15591397 0.83 KMT2A (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635032-A Compounds and methods for treating ocular disorders 阿祖拉眼科有限公司 2023-08-22 CN disclosed