SCHEMBL23399059

SCHEMBL23399059

Cc1ccccc1-n1cc(C)c(O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 2/20 0.45
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 4/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
RXRA P19793 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB1 P08588 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL23403679 0.85 ADORA3 (0.41) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL28947953 0.85 ADORA3 (0.41) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23401684 0.83 ADORA3 (0.42) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL11825632 0.83 ADORA3 (0.43) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23401239 0.83 HSP90AA1 (0.42) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23399006 0.83 GABRA1 (0.41) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23398420 0.81 ADORA3 (0.39) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23400912 0.81 ADORA3 (0.43) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23400298 0.80 MEN1 (0.40) ADORA3ADORA2AFLT3GSK3BALDH1A1
SCHEMBL23402912 0.79 GABRA1 (0.39) ADORA3ADORA2AFLT3GSK3BALDH1A1

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