SCHEMBL23399751

SCHEMBL23399751

CC(C)Cc1c[nH]n(C(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.33
DAO P14920 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL23400748 0.84 KDM5A (0.31) KDM5A
SCHEMBL23400488 0.78 GABRA1 (0.36) KDM5ADAOGABRA1GABRB2
SCHEMBL23400947 0.77 HCAR2 (0.34) DAO
SCHEMBL23399233 0.76 SMN1; SMN2 (0.34) KDM5ADAOGABRA1GABRB2
SCHEMBL23400475 0.76 ALDH1A1 (0.33) KDM5ADAOGABRA1GABRB2
SCHEMBL23399082 0.74 KDM5A (0.32) KDM5ADAO
SCHEMBL23398383 0.73 ALDH1A1 (0.49) KDM5A
SCHEMBL15368192 0.71 ALDH1A1 (0.36)
SCHEMBL23400879 0.70 MAPT (0.47)
SCHEMBL23401045 0.70 ALDH1A1 (0.40) 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