SCHEMBL22918409

SCHEMBL22918409

C[C@@H]1C[C@H](C(=O)NS(C)(=O)=O)C2CC1C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 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
SCHEMBL26143802 0.76 CHRNB2 (0.39) —
SCHEMBL108138 0.71 CA1 (0.31) —
SCHEMBL12429921 0.68 CA1 (0.31) —
SCHEMBL7929672 0.65 NPC1 (0.34) CLK1
SCHEMBL14266974 0.65 SCN9A (0.31) —
SCHEMBL4110765 0.65 POLB (0.36) —
SCHEMBL13355268 0.64 SCN3A (0.36) —
Hydrochloric Acid SCHEMBL29660090 0.64 CTSC (0.33) —
SCHEMBL13179065 0.64 CHRNB2 (0.39) —
SCHEMBL22645802 0.63 GABRR1 (0.39) —

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
WO-2021013028-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-01-28 — — WO disclosed
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