SCHEMBL23399240

SCHEMBL23399240

CC(C)Cc1cc(O)nn1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE10A Q9Y233 1/20 0.31
DAO P14920 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
SCHEMBL23398524 0.78 GABRA1 (0.32) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL23401813 0.78 ADORA2A (0.35) KDM4EHPGDHSD17B10
SCHEMBL27542274 0.78 TLR7 (0.36) HPGD
SCHEMBL12414784 0.78 DAO (0.39) DAO
SCHEMBL23399879 0.77 ADORA2A (0.32) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL14012143 0.77 BCHE (0.33) HPGD
SCHEMBL23400387 0.77 GABRA1 (0.31) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL14642681 0.77
SCHEMBL31206445 0.77
SCHEMBL23403278 0.76 GABRA1 (0.30) GABRA1GABRB2

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