SCHEMBL9054036

SCHEMBL9054036

CCOCCOCCOC(=O)CC(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
TET2 Q6N021 3/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
EPHX2 P34913 1/20 0.34
HSD17B10 Q99714 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL7079362 0.86 SMN1; SMN2 (0.39) ALDH1A1TSHRSMN1; SMN2TET2TET3
SCHEMBL7079363 0.86 SMN1; SMN2 (0.39) ALDH1A1TSHRSMN1; SMN2TET2TET3
SCHEMBL7079361 0.86 SMN1; SMN2 (0.39) ALDH1A1TSHRSMN1; SMN2TET2TET3
Ether SCHEMBL2962826 0.84 ALDH1A1 (0.39) ALDH1A1TSHRTHRBSMN1; SMN2TET2
SCHEMBL28065452 0.84 MEN1 (0.41) ALDH1A1TSHRTHRBSMN1; SMN2TET2
Ether SCHEMBL2964323 0.81 ALDH1A1 (0.36) ALDH1A1TSHRTHRBSMN1; SMN2TET2
SCHEMBL1561849 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TET2TET3TET1
SCHEMBL17132189 0.81 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2TET2TET3
SCHEMBL17132190 0.81 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2TET2TET3
SCHEMBL305092 0.81 SMN1; SMN2 (0.48) ALDH1A1TSHRSMN1; SMN2TET2TET3

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
WO-1996008351-A1 ELASTOMERIC ARTICLES ANSELL PERRY INC. (US) 1996-03-21 WO disclosed