SCHEMBL20102780

SCHEMBL20102780

OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC1CO1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.68
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PDK1 Q15118 2/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13360001 1.00 TSHR (0.68) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15834831 0.96 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL2677431 0.96
SCHEMBL12873237 0.94 TSHR (0.72) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
1,4-Butanediol SCHEMBL29258788 0.91 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Etoglucid SCHEMBL29001809 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Ethylene Glycol SCHEMBL9447830 0.89 TSHR (0.71) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL123896 0.89 TSHR (0.78) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL3204029 0.88 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL126395 0.88 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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-20180118946-A1 LEUCO POLYMERS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS MILLIKEN & COMPANY 2018-05-03 US disclosed