SCHEMBL23401635

SCHEMBL23401635

CCc1nn(-c2cccc(C)c2)c(O)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
RIPK2 O43353 1/20 0.43
MAPK9 P45984 1/20 0.43
DDR2 Q16832 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PRKCZ Q05513 1/20 0.38
DHFR P00374 1/20 0.38
MAPK1 P28482 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL23401578 0.90 RIPK2 (0.42) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL23403090 0.87 RIPK2 (0.40) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL23399604 0.86 RIPK2 (0.41) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL23400360 0.84 ALDH1A1 (0.48) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400910 0.83 ALDH1A1 (0.49) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL23398722 0.83 CDK8 (0.44) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23398573 0.83 ALDH1A1 (0.45) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL23403247 0.82 MAPK13 (0.43) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23402852 0.82 ALDH1A1 (0.44) MAPK14MAPK13MAPK12MAPK11RIPK2
SCHEMBL23399463 0.82 RIPK2 (0.55) MAPK14MAPK13MAPK12MAPK11RIPK2

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