SCHEMBL23401326

SCHEMBL23401326

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ HPD P32754 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 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
SCHEMBL23401804 0.88 PDE4A (0.40) HPDL3MBTL1
SCHEMBL23400523 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2
SCHEMBL23399156 0.79 SMN1; SMN2 (0.36) ALDH1A1HPDL3MBTL1KDM4E
SCHEMBL23400100 0.78 KDM4E (0.40) ALDH1A1L3MBTL1KDM4E
SCHEMBL23403152 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23399090 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EUSP2
SCHEMBL23400970 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23402563 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23398946 0.76 NPC1 (0.38) ALDH1A1KDM4E
SCHEMBL23399676 0.72 SMN1; SMN2 (0.39) ALDH1A1HPDL3MBTL1

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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