SCHEMBL11800720

SCHEMBL11800720

C/C(=N\OCc1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCOCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL11800727 1.00 MAPT (0.58) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11787988 0.85 MAPT (0.53) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11787996 0.85 MAPT (0.53) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11790993 0.83 MAPT (0.65) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11790981 0.83 MAPT (0.65) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11793111 0.79 MAPT (0.70) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11793096 0.79 MAPT (0.70) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL10101737 0.78 NPC1 (0.54) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11793762 0.77 MAPT (0.56) MAPTLMNAKMT2AKDM4EL3MBTL1
SCHEMBL11793757 0.77 MAPT (0.56) MAPTLMNAKMT2AKDM4EL3MBTL1

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
US-3997565-A METAL COMPLEXING AGENT, DISPERSANT, CARBON BLACK, VIRICIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-14 US disclosed