SCHEMBL23399545

SCHEMBL23399545

CCCc1c[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.31
KDM5A P29375 1/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23402317 0.89 CTRC (0.33) DAOALDH1A1
SCHEMBL23402148 0.88 GRIN2D (0.31) ALDH1A1
SCHEMBL23399082 0.76 KDM5A (0.32) DAOKDM5A
SCHEMBL23398619 0.75 ALDH1A1 (0.36) DAOKDM5AEPHX2ALDH1A1
SCHEMBL23401763 0.73 ALDH1A1 (0.39) DAOKDM5AEPHX2ALDH1A1
SCHEMBL23402421 0.72 ALDH1A1 (0.53) DAOKDM5AEPHX2ALDH1A1
SCHEMBL23400010 0.70 GAA (0.35) ALDH1A1
SCHEMBL23402899 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL23402389 0.68 ALDH1A1 (0.35) DAOALDH1A1
SCHEMBL23402424 0.65 KDM5A (0.34) KDM5A

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