SCHEMBL28403051

SCHEMBL28403051

CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)CCC3CCCCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.41
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ ACHE P22303 12/20 0.39
▸ HTR4 Q13639 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ APEX1 P27695 1/20 0.38

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
SCHEMBL28525726 0.88 PTGS2 (0.47) PDK2PTGS1PTGS2APEX1
SCHEMBL28704196 0.85 MAPT (0.43) PTGS1PTGS2ACHEHTR4PDE4A
SCHEMBL23805907 0.84 APEX1 (0.47) PDK2APEX1
SCHEMBL22958592 0.84 PDE4A (0.37) PTGS1PTGS2ACHEHTR4PDE4A
SCHEMBL22355514 0.83 MEN1 (0.41) PDK2
SCHEMBL29317161 0.82 PDK2 (0.36) PDK2APEX1
SCHEMBL24490441 0.81 PDK2 (0.35) PDK2APEX1
SCHEMBL28228760 0.81 PDK2 (0.46) PDK2PTGS1PTGS2ACHEHTR4
SCHEMBL18235863 0.81 PDK2 (0.45) PDK2APEX1
SCHEMBL28228004 0.78 HSD17B3 (0.47) PDK2APEX1

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-111233719-B Process for preparing alpha-oxime acetophenone derivatives 泰兴先先化工有限公司 2021-08-20 — — CN disclosed
CN-111233719-A α -oxime acetophenone derivatives and their preparation 泰兴先先化工有限公司 2020-06-05 — — CN disclosed
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