Ether

Ether

SCHEMBL7956358

CCOCC.COC(=O)CCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 2/20 0.33
KAT2B Q92831 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL2454952 0.92 TSHR (0.50) TSHRHTTLMNAALDH1A1MAPT
SCHEMBL14141438 0.85 TSHR (0.54) TSHRHTTLMNAALDH1A1MAPT
SCHEMBL264567 0.85 TSHR (0.48) TSHRHTTLMNAALDH1A1KMT2A
SCHEMBL19463301 0.83 TSHR (0.47) TSHRHTTLMNAALDH1A1KMT2A
SCHEMBL905407 0.83 TSHR (0.47) TSHRHTTLMNAALDH1A1KMT2A
SCHEMBL277616 0.83 ALDH1A1 (0.33) TSHRHTTLMNAALDH1A1KMT2A
SCHEMBL29044559 0.83 TSHR (0.47) TSHRHTTLMNAALDH1A1KMT2A
SCHEMBL19696384 0.83 TSHR (0.41) TSHRHTTLMNAALDH1A1MAPT
SCHEMBL25818843 0.83 ALDH1A1 (0.32) ALDH1A1KMT2ASMN1; SMN2PSMB8PSMB5
SCHEMBL43576 0.82 PSMB8 (0.35) TSHRLMNAKMT2ASMN1; SMN2PSMB8

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-6316669-B1 OPHTHALMOLOGY ALCON MANUFACTURING, LTD. 2001-11-13 US disclosed