SCHEMBL25032353

SCHEMBL25032353

C#CCN(C(=O)OC(C)(C)C)c1ccc(P(C)(C)=O)cc1OC1CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNQ4 P56696 3/20 0.31
▸ KCNQ5 Q9NR82 3/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL30832677 1.00 KCNQ4 (0.31) KCNQ4KCNQ5PDE4APDE4BPDE4C
SCHEMBL30832661 0.86 LPAR1 (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL31304808 0.86 ACHE (0.35) KCNQ4KCNQ5
SCHEMBL30832717 0.84 KCNQ4 (0.33) KCNQ4KCNQ5
SCHEMBL30184603 0.80 KCNQ4 (0.33) KCNQ4KCNQ5
SCHEMBL25033082 0.80 KCNQ4 (0.33) KCNQ4KCNQ5
SCHEMBL31270395 0.79 POLQ (0.35) KCNQ4KCNQ5
SCHEMBL25033081 0.79 KCNQ4 (0.35) KCNQ4KCNQ5
SCHEMBL30832688 0.79 KCNQ4 (0.35) KCNQ4KCNQ5
SCHEMBL29184902 0.71 KEAP1 (0.36) —

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-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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