SCHEMBL9722952

SCHEMBL9722952

O=C(O)C(O)C(CCO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.41
OR51E2 Q9H255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
THRB P10828 1/20 0.33
GBA1 P04062 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PGD P52209 1/20 0.31
TP53 P04637 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
Pyridine SCHEMBL28420394 0.84 KDM4E (0.44) TSHRCYP2C9PDE4ATDP1
SCHEMBL20723703 0.83 TSHR (0.39) TSHRCYP2C9PDE4AOR51E2TDP1
SCHEMBL723958 0.78 TSHR (0.50) TSHRCYP2C9PDE4AOR51E2TDP1
SCHEMBL2928385 0.77 TET2 (0.54) TSHRTDP1SMN1; SMN2TET2KDM4A
SCHEMBL183381 0.77 TP53 (0.41) OR51E2TDP1TP53
SCHEMBL261624 0.77 TET2 (0.54) TSHRTDP1SMN1; SMN2TET2KDM4A
SCHEMBL1333090 0.77 TDP1 (0.50) TSHRTDP1MAPT
SCHEMBL2784989 0.76 PDE4A (0.48) TSHRCYP2C9PDE4AOR51E2TET2
SCHEMBL188173 0.74 SLC1A3 (0.48) TDP1TP53
SCHEMBL2738309 0.74 SLC1A3 (0.48) TDP1TP53

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-5154850-A Alkyl glycoside, nonionic surfactant, one or more water-soluble organic or inorganic salts; improved foaming ability, rinsability, feeling to hands, drainability KAO CORPORATION (JP) 1992-10-13 US disclosed