SCHEMBL23400554

SCHEMBL23400554

Cc1ccccc1-n1nc(O)c(CC(C)C)c1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SLC16A3 O15427 3/20 0.34
SLC16A1 P53985 3/20 0.34
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
HSD11B1 P28845 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PLK1 P53350 1/20 0.30

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
SCHEMBL23402774 0.85 MAPK14 (0.41) ALDH1A1L3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23400661 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EKMT2AHTT
SCHEMBL23401384 0.83 MAPK14 (0.37) ALDH1A1L3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23399422 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4ESLC16A3SLC16A1
SCHEMBL23398976 0.82 HTR6 (0.38) ALDH1A1
SCHEMBL23403085 0.82 POLB (0.42) ALDH1A1L3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23401076 0.82 KDM4E (0.38) ALDH1A1L3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23402749 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPK14KDM4ESLC16A3
SCHEMBL23399739 0.80 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPK14MAPK13MAPK12
SCHEMBL23401338 0.79 MAPK14 (0.41) ALDH1A1MAPK14MAPK13MAPK12MAPK11

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