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
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