SCHEMBL10550382

SCHEMBL10550382

CCOCCOCCOC(=O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL482106 0.98 ALDH1A1 (0.53) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL4206502 0.95 ALDH1A1 (0.48) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL844829 0.93 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL5656419 0.91 ALDH1A1 (0.52) ALDH1A1TSHRTHRBSMN1; SMN2MAPT
SCHEMBL19474878 0.91 ALDH1A1 (0.52) ALDH1A1TSHRTHRBSMN1; SMN2MAPT
SCHEMBL11848105 0.91 ALDH1A1 (0.52) ALDH1A1TSHRTHRBSMN1; SMN2MAPT
SCHEMBL28810775 0.91 ALDH1A1 (0.52) ALDH1A1TSHRTHRBSMN1; SMN2MAPT
SCHEMBL812745 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18191920 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18191935 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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