SCHEMBL23401232

SCHEMBL23401232

CC(C)Cc1c(O)cnn1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32

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
SCHEMBL23399649 0.79
SCHEMBL23402490 0.78 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23399067 0.78 POLB (0.37) KDM4EUSP2HPGDHSD17B10
SCHEMBL18711991 0.78 GRIA1 (0.38)
SCHEMBL23403307 0.77 HTT (0.34) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23403028 0.77 HTR2A (0.36) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL21960338 0.76 NOS3 (0.32) BCDIN3D
SCHEMBL22863927 0.76 MEN1 (0.30) HPGD
SCHEMBL23402244 0.76 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23403604 0.75 ESR1 (0.33)

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