SCHEMBL23401384

SCHEMBL23401384

CCCc1c(O)nn(-c2ccccc2C)c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD11B1 P28845 1/20 0.33
MAPT P10636 3/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
APLNR P35414 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.32
PDE4A P27815 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
SCHEMBL23403085 0.93 POLB (0.42) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL23402774 0.89 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL23398400 0.83 PDE4A (0.39) POLBL3MBTL1ALDH1A1HSD11B1MAPT
SCHEMBL23400554 0.83 ALDH1A1 (0.38) MAPK14MAPK13MAPK12MAPK11L3MBTL1
SCHEMBL23402658 0.82 USP2 (0.43) ALDH1A1MAPTMAPK1USP2KMT2A
SCHEMBL23400121 0.82 MAPT (0.37) POLBL3MBTL1ALDH1A1HSD11B1MAPT
SCHEMBL23398434 0.81 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL23400896 0.81 ALDH1A1 (0.36) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL23401338 0.80 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401602 0.79 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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