SCHEMBL23398389

SCHEMBL23398389

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ DAO P14920 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
SCHEMBL23399548 0.92 HTT (0.35) HTTALDH1A1DAO
SCHEMBL23401051 0.90 PDE4A (0.35) —
SCHEMBL23399211 0.89 HTT (0.36) HTTALDH1A1
SCHEMBL23403494 0.87 HTT (0.34) HTTALDH1A1DAO
SCHEMBL23400135 0.86 KDM4E (0.31) ALDH1A1
SCHEMBL23401658 0.86 KDM4E (0.32) HTTALDH1A1
SCHEMBL23399072 0.85 ALDH1A1 (0.35) HTTSMN1; SMN2ALDH1A1
SCHEMBL23401153 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL23398505 0.82 HTT (0.36) HTTALDH1A1
SCHEMBL23403351 0.81 KDM4E (0.32) ALDH1A1

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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