SCHEMBL23401587

SCHEMBL23401587

CC(C)Cc1nn(C(C)(C)C)cc1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL23400244 0.79
SCHEMBL24752004 0.79 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23400652 0.76
SCHEMBL23399855 0.76 KDM4E (0.43) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23402154 0.75 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL23402687 0.74 KDM4E (0.42) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL1420985 0.74
SCHEMBL23401047 0.74 NPC1 (0.34) HPGDGABRA1GABRB2
SCHEMBL23398979 0.73 KDM4E (0.41) KDM4EUSP2HPGDHSD17B10GABRA1
SCHEMBL23401564 0.72

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