SCHEMBL28836367

SCHEMBL28836367

CC(=O)Oc1ncc(C(C)O)n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL28724144 0.72 SMN1; SMN2 (0.37) LMNASMN1; SMN2ALDH1A1TSHR
Acetic Acid SCHEMBL29091296 0.70 LMNA (0.33) LMNASMN1; SMN2
SCHEMBL30618874 0.69 LMNA (0.35) LMNASMN1; SMN2
SCHEMBL12208276 0.68 MAPK1 (0.39) LMNASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL13114035 0.67 LMNA (0.39) LMNASMN1; SMN2ALDH1A1GAATSHR
Hydrochloric Acid SCHEMBL28384629 0.67 RORC (0.39) LMNASMN1; SMN2ALDH1A1GAATSHR
SCHEMBL29338049 0.67 LMNA (0.36) LMNASMN1; SMN2TSHR
Sulfuric Acid SCHEMBL31265764 0.66 RORC (0.36) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL29341695 0.65 LMNA (0.37) LMNASMN1; SMN2ALDH1A1TSHR
Nitric Acid SCHEMBL29206900 0.63 MAPK1 (0.44) LMNASMN1; SMN2ALDH1A1GAATSHR

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
CN-114989406-A Application of non-metallic organic compound in synthesis of polyester by DMT method, DMT method functional copolyester and preparation method thereof 青岛大学 2022-09-02 — — CN disclosed
Send feedback