SCHEMBL29255288

SCHEMBL29255288

CCOC=Cc1nn(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 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
SCHEMBL29255284 1.00 GAA (0.32) GAA
SCHEMBL29255364 0.86 TSHR (0.37) GAA
SCHEMBL29255362 0.86 TSHR (0.37) GAA
SCHEMBL5906656 0.69 GABRP (0.41)
SCHEMBL29255387 0.69 TSHR (0.41) GAA
SCHEMBL29255466 0.68 TSHR (0.40) GAA
SCHEMBL19121426 0.67 KDM4E (0.34)
SCHEMBL19449357 0.67 ALKBH1 (0.38)
SCHEMBL31352135 0.66 POLB (0.42)
SCHEMBL17658936 0.65 PDK2 (0.35)

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-118307564-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 深圳信立泰药业股份有限公司 2024-07-09 CN disclosed