SCHEMBL23401610

SCHEMBL23401610

Cc1ccccc1-c1nn(CC(C)C)c(O)c1CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
DPP4 P27487 2/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL23402074 0.89 KDM5A (0.34) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23398519 0.89 TRPM8 (0.34) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23399145 0.87 GCGR (0.34) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23400274 0.87 ESR1 (0.41) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23398585 0.86 GCGR (0.36) GABRA1GABRB2CNR2USP2MAPT
SCHEMBL23401121 0.85 ESR1 (0.37) CNR2MAPT
SCHEMBL23402212 0.85 GABRA1 (0.38) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23399753 0.83 TDP2 (0.34) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23402522 0.83 ESR1 (0.36) GABRA1GABRB2MAPK13MAPK12MAPK11
SCHEMBL23398750 0.82 LDHA (0.34) GABRA1GABRB2MAPK13MAPK12MAPK11

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