SCHEMBL28580346

SCHEMBL28580346

COC(=O)C1=C(C(=O)O)OCCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.40
SLC6A2 P23975 10/20 0.40
ACHE P22303 3/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL28580343 0.89 ACHE (0.41) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL2412750 0.78 ACHE (0.53) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL11116834 0.77 TSHR (0.40)
SCHEMBL8442283 0.75 ACHE (0.42) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL7803473 0.75 CA1 (0.39)
SCHEMBL25915541 0.74 ALDH1A1 (0.38) ACHE
SCHEMBL9561660 0.72 SLC6A3 (0.50) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL2371417 0.72 SLC6A3 (0.54) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL8636289 0.71 SLC6A3 (0.53) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL2131145 0.71 SLC6A3 (0.53) SLC6A3SLC6A2ACHESLC6A4

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-112996785-A Therapeutic compounds 希四克斯探索有限公司 2021-06-18 CN disclosed