SCHEMBL23402706

SCHEMBL23402706

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23399785 0.89 PDE4A (0.37) SMN1; SMN2
SCHEMBL23402697 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23398575 0.86 HTT (0.35) ALDH1A1
SCHEMBL23401614 0.85 KDM4E (0.30) ALDH1A1
SCHEMBL23400855 0.84 TYMP (0.33) SMN1; SMN2ALDH1A1
SCHEMBL23399326 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL23399873 0.81 MEN1 (0.31) ALDH1A1
SCHEMBL23403152 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23401153 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL23399156 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1

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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