SCHEMBL29950857

SCHEMBL29950857

[C-]#[N+]CCCC([N+]#[C-])C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL29668156 0.95 ZDHHC7 (0.36) CA1CA2ZDHHC7
SCHEMBL29955967 0.88 CA1 (0.39) CA1CA2ZDHHC7SMN1; SMN2
SCHEMBL29950515 0.83 CA2 (0.53) CA1CA2ZDHHC7
SCHEMBL29952883 0.80 TSHR (0.48) CA1CA2
SCHEMBL29956933 0.80 ZDHHC7 (0.56) CA1CA2ZDHHC7
SCHEMBL11298327 0.79 CA1 (0.42) CA1CA2ZDHHC7SMN1; SMN2
SCHEMBL29956277 0.76 GABRP (0.38) CA1CA2
SCHEMBL29956397 0.74 L3MBTL1 (0.41)
SCHEMBL29951369 0.74 CA1 (0.32) CA1CA2ZDHHC7SMN1; SMN2
SCHEMBL9832435 0.74

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed