SCHEMBL23403247

SCHEMBL23403247

CCc1nn(-c2ccc(C)c(C)c2)c(O)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 1/20 0.37
CA1 P00915 6/20 0.36
CA2 P00918 6/20 0.36
MAPT P10636 1/20 0.35
STAT1 P42224 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL23398533 0.89 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401251 0.87 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401756 0.85 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23398722 0.84 CDK8 (0.44) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401434 0.82 CYP1A2 (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23401635 0.82 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23402458 0.81 ALDH1A1 (0.43) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23400360 0.80 ALDH1A1 (0.48) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23402890 0.79 ALDH1A1 (0.41) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL23402861 0.78 ALDH1A1 (0.40) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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