SCHEMBL23399561

SCHEMBL23399561

CCc1nn(-c2cccc(C)c2)c(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MAPK9 P45984 1/20 0.41
DDR2 Q16832 1/20 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
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PRKCZ Q05513 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL23400850 0.90 RIPK2 (0.42) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401475 0.88 RIPK2 (0.41) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402635 0.86 RIPK2 (0.41) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402166 0.84 ALDH1A1 (0.48) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400313 0.83 CDK8 (0.41) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23400885 0.83 ALDH1A1 (0.49) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402531 0.83 ALDH1A1 (0.45) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401789 0.82 RIPK2 (0.55) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402183 0.82 ALDH1A1 (0.44) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23401635 0.81 MAPK14 (0.46) RIPK2MAPK14MAPK13MAPK12MAPK11

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