SCHEMBL23401995

SCHEMBL23401995

Cc1nn(C(C)C)c(CC(C)C)c1O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL23399659 0.82 ALDH1A1 (0.33) ALDH1A1MAPTHTT
SCHEMBL23401515 0.81 KDM4E (0.34) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL27145071 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL23402217 0.78 GABRA1 (0.32) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL23400563 0.78 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10
SCHEMBL23403234 0.77 KDM4E (0.31) KDM4EUSP2HPGDHSD17B10
SCHEMBL23402492 0.77 SMN1; SMN2 (0.41) GABRA1GABRB2KDM4EUSP2HPGD
SCHEMBL23398408 0.77
SCHEMBL23399695 0.77 FFAR1 (0.35) HTTHPGD
SCHEMBL23402145 0.76 ADORA2A (0.35) GABRA1GABRB2KDM4EUSP2HPGD

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