SCHEMBL23399607

SCHEMBL23399607

Cc1ccc(-c2c(O)c(C(C)(C)C)nn2-c2ccccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.35
PTGS2 P35354 1/20 0.34
ADORA1 P30542 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
C5AR1 P21730 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
IDH1 O75874 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL23403652 0.92 ALDH1A1 (0.45) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23399621 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23401825 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23400833 0.83 PTGS2 (0.46) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23401800 0.83 MAPK14 (0.38) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23402094 0.81 PTGS2 (0.43) ALDH1A1MAPTMAPK14ATMTSHR
SCHEMBL23401819 0.81 ADORA1 (0.41) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23399308 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23398885 0.81 PTGS2 (0.52) ALDH1A1MAPTMAPK14MAPK13MAPK12
SCHEMBL23402846 0.80 MAPK14 (0.41) ALDH1A1MAPTMAPK14MAPK13MAPK12

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