SCHEMBL11713191

SCHEMBL11713191

CC(C)OCC(=O)OCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAM P19021 3/20 0.44
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 3/20 0.33
CTH P32929 1/20 0.33
CBS P35520 1/20 0.33
THPO P40225 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL56720 0.83
SCHEMBL2600796 0.83 PAM (0.41) PAMTSHRCTHCBSTHPO
SCHEMBL12189970 0.81 TDP1 (0.40) TDP1TSHRALDH1A1
SCHEMBL3248904 0.79 GAA (0.50) TSHRALDH1A1GAA
SCHEMBL14039046 0.77 TSHR (0.46) TDP1TSHRALDH1A1GAA
SCHEMBL18232156 0.77 PAM (0.44) PAMTDP1TSHRCTHCBS
SCHEMBL863577 0.77 TDP1 (0.39) TDP1TSHRALDH1A1
SCHEMBL12286258 0.77 PAM (0.37) PAM
Alcohol SCHEMBL4292742 0.76 FFAR3 (0.36) PAMTSHRCTHCBSTHPO
SCHEMBL4261273 0.76 PAM (0.42) PAMTDP1TSHRCTHCBS

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-4036984-A PHENOXYETHYL FATTY ACID ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-19 US disclosed