SCHEMBL17049490

SCHEMBL17049490

C=C(C)C(=O)OCCOC(C)OCCOCCOCCOC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
TSHR P16473 7/20 0.44
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCB11 O95342 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2B P18089 1/20 0.30
OPRD1 P41143 1/20 0.30
SCN5A Q14524 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
SCHEMBL1524020 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL864768 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3685572 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL135538 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2740451 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20276249 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1524236 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20276144 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15831119 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12172332 0.88 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1

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-9120965-B2 Composition and method for recovering hydrocarbon fluids from a subterranean reservoir NALCO COMPANY (US) 2015-09-01 US disclosed