SCHEMBL19862409

SCHEMBL19862409

C=C(C)C(=O)OCCN(C)CO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.31
MVD P53602 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
SCHEMBL712423 0.90 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9765971 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15839546 0.85 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL109105 0.85 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12310603 0.85 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12346273 0.83 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20598806 0.83 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3207208 0.83 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4250609 0.83 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9485408 0.82 THRB (0.50) 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
WO-2018028935-A1 STABLE LIQUID DETERGENT COMPRISING SOIL RELEASE POLYMER HENKEL AG & CO. KGAA (DE) 2018-02-15 WO disclosed