SCHEMBL28655709

SCHEMBL28655709

O=C(O)C[C@@H]1O[C@H]1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.38
SLC6A11 P48066 5/20 0.38
SLC6A13 Q9NSD5 5/20 0.38
SUCNR1 Q9BXA5 2/20 0.35
HSD11B1 P28845 1/20 0.35
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGAL P20701 1/20 0.33
APEX1 P27695 1/20 0.32
SLC6A1 P30531 2/20 0.32

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
SCHEMBL676905 1.00 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13SUCNR1HSD11B1
SCHEMBL10477587 0.97 SLC6A12 (0.36) SLC6A12SLC6A11SLC6A13SUCNR1HSD11B1
SCHEMBL11698166 0.89
SCHEMBL5413833 0.87
SCHEMBL3062281 0.87
SCHEMBL5413831 0.87
SCHEMBL747060 0.84 IGF2R (0.39) SLC6A12SLC6A11SLC6A13SUCNR1LMNA
SCHEMBL28821679 0.83 KAT2A (0.38) TSHRFFAR3OR51E2
SCHEMBL3259081 0.81 MAPT (0.33)
SCHEMBL1252905 0.81

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-113773296-A Preparation method of fluorine-containing monomer 2,2,4, 5-tetra (trifluoromethyl) -1, 3-dioxole 四川轻化工大学 2021-12-10 CN claimed
CN-113773296-A Preparation method of fluorine-containing monomer 2,2,4, 5-tetra (trifluoromethyl) -1, 3-dioxole 四川轻化工大学 2021-12-10 CN disclosed