SCHEMBL9840338

SCHEMBL9840338

C=C(C)C(=O)OCCOCCOC(=O)C(=C)CCCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
TSHR P16473 6/20 0.45
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ALDH1A1 P00352 5/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX2 P34913 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL1548478 0.93 TSHR (0.51) THRBTSHRGAAPOLBAPEX1
SCHEMBL8769599 0.92 GAA (0.41) THRBTSHRGAAALDH1A1CYP4F2
SCHEMBL2505517 0.90 THRB (0.52) THRBTSHRPOLBAPEX1HTT
1,4-Butanediol SCHEMBL16265704 0.90 THRB (0.66) THRBTSHRGAAPOLBAPEX1
1,6-Hexanediol SCHEMBL17420126 0.88 THRB (0.63) THRBTSHRGAAPOLBAPEX1
1,6-Hexanediol SCHEMBL9436385 0.88 THRB (0.63) THRBTSHRGAAPOLBAPEX1
SCHEMBL13397682 0.86 THRB (0.61) THRBTSHRGAAPOLBAPEX1
1,4-Butanediol SCHEMBL14911112 0.86 THRB (0.61) THRBTSHRGAAPOLBAPEX1
SCHEMBL8850641 0.86 THRB (0.61) THRBTSHRGAAPOLBAPEX1
SCHEMBL8145264 0.86 THRB (0.41) THRBTSHRGAAALDH1A1CYP4F2

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-1991003310-A1 PROCESS FOR SURFACE-GRAFTING OF FORMED MATERIALS, IN PARTICULAR ALSO MICROPOROUS MEMBRANES MADE FROM NITROGEN CONTAINING POLYMERS SARTORIUS AG (DE) 1991-03-21 WO claimed