SCHEMBL23398383

SCHEMBL23398383

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

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.35
KDM5A P29375 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
SCHEMBL23401045 0.90 ALDH1A1 (0.40) ALDH1A1KDM5A
SCHEMBL23400475 0.86 ALDH1A1 (0.33) ALDH1A1KDM5A
SCHEMBL23402060 0.83 ALDH1A1 (0.56) ALDH1A1
SCHEMBL23399233 0.82 SMN1; SMN2 (0.34) ALDH1A1HTTKDM5A
SCHEMBL23402421 0.80 ALDH1A1 (0.53) ALDH1A1KDM5A
SCHEMBL23400488 0.78 GABRA1 (0.36) ALDH1A1KDM5A
SCHEMBL23398390 0.77 ALDH1A1 (0.50) ALDH1A1HTT
SCHEMBL23398549 0.75 ALDH1A1 (0.51) ALDH1A1KDM5A
SCHEMBL23402237 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL23401059 0.72 ALDH1A1 (0.61) 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