SCHEMBL27670973

SCHEMBL27670973

OCCCCCCCOCC1CO1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 4/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK1 Q15118 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
SCHEMBL3204029 1.00 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL3750992 1.00 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL126395 1.00 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL123896 0.98 TSHR (0.78) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL12873237 0.94 TSHR (0.72) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15834831 0.92 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
1,4-Butanediol SCHEMBL29258788 0.91 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL2677431 0.91
Etoglucid SCHEMBL29001809 0.90 TSHR (0.59) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL23668238 0.89 TSHR (0.56) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894299-B Solvent-free urethane composition CELUSTER PAINT CO LTD 2010-06-23 CN disclosed
CN-1894299-A Solvent-free urethane composition CELUSTER PAINT CO LTD (JP) 2007-01-10 CN disclosed