SCHEMBL23402954

SCHEMBL23402954

CCCn1[nH]c(C)c(CC(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ DAO P14920 1/20 0.31

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
SCHEMBL23401448 0.90 PDE4A (0.35) KDM5A
SCHEMBL23399548 0.83 HTT (0.35) HTTALDH1A1DAO
SCHEMBL23398575 0.83 HTT (0.35) HTTALDH1A1DAO
SCHEMBL23403674 0.82 SMN1; SMN2 (0.36) HTTALDH1A1KDM5A
SCHEMBL23399156 0.82 SMN1; SMN2 (0.36) ALDH1A1KDM5A
SCHEMBL23403494 0.81 HTT (0.34) HTTALDH1A1DAO
SCHEMBL23400100 0.80 KDM4E (0.40) ALDH1A1KDM5A
SCHEMBL23398505 0.80 HTT (0.36) HTTALDH1A1
SCHEMBL23398946 0.79 NPC1 (0.38) HTTALDH1A1
SCHEMBL23403038 0.78 HPD (0.35) KDM5ADAO

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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