SCHEMBL9687268

SCHEMBL9687268

O=C(O)COOCC(=O)O.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CTH P32929 1/20 0.50
CBS P35520 1/20 0.50
THPO P40225 1/20 0.50
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.38
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC22A6 Q4U2R8 2/20 0.37
FFAR3 O14843 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3271834 0.96 TSHR (0.53) TSHRCTHCBSTHPOTHRB
Ethylene SCHEMBL17512844 0.89 TSHR (0.47) TSHRCTHCBSTHPOTHRB
Acetic Acid SCHEMBL11151335 0.86 FFAR3 (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL9687262 0.86 TSHR (0.45) TSHRCTHCBSTHPOTHRB
SCHEMBL9686313 0.81 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL29750669 0.79
SCHEMBL11736459 0.77 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL516734 0.77 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL611619 0.77 TSHR (0.50) TSHRCTHCBSTHPOTHRB
SCHEMBL21409743 0.76

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-5084427-A Deodorizing with aluminum silicate molecular sieves UOP (US) 1992-01-28 US claimed