SCHEMBL23399753

SCHEMBL23399753

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.34
DPP4 P27487 3/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
EIF2AK2 P19525 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
RECQL P46063 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
SCHEMBL23402522 0.86 ESR1 (0.36) TDP2DPP4MAPK13MAPK12MAPK11
SCHEMBL23400274 0.84 ESR1 (0.41) DPP4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23402397 0.84 KDM5A (0.38) TDP2DPP4GABRA1GABRB2SMN1; SMN2
SCHEMBL23398519 0.83 TRPM8 (0.34) DPP4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23401610 0.83 GABRA1 (0.33) DPP4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23398546 0.82 MEN1 (0.31) DPP4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23402740 0.82 ALDH1A1 (0.38) DPP4MAPK13MAPK12MAPK11MAPK14
SCHEMBL23400890 0.82 TSHR (0.39) USP2MAPTHPGDTSHRRAB9A
SCHEMBL23398422 0.81 TDP2 (0.35) TDP2DPP4GABRA1GABRB2SMN1; SMN2
SCHEMBL23401695 0.81 SMN1; SMN2 (0.48) SMN1; SMN2MAPTRECQLALDH1A1POLB

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