Ether

Ether

SCHEMBL10550379

CCOCC.O=C(OCCOCCO)C1CCCCC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL29215299 0.92 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRHTT
SCHEMBL10550382 0.90 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL22692801 0.90 KMT2A (0.42) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL482106 0.89 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4206502 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL812745 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7637417 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18191920 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18191935 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL482814 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTADRB2

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-4839409-A ORGANOTIN OR NONTIN METAL SALTS MORTON THIOKOL, INC. (US) 1989-06-13 US disclosed