SCHEMBL23402156

SCHEMBL23402156

Cc1ccc(-c2c(O)c(C(C)(C)C)nn2-c2cccc(C)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.51
MAPK14 Q16539 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK9 P45984 1/20 0.40
DDR2 Q16832 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RPA1 P27694 1/20 0.40
ATM Q13315 1/20 0.38
PRKCZ Q05513 1/20 0.37
PTGS2 P35354 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL23398544 0.92 RIPK2 (0.51) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400066 0.91 RIPK2 (0.52) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23400833 0.88 PTGS2 (0.46) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23399249 0.87 L3MBTL1 (0.48) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23399724 0.86 ALDH1A1 (0.48) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23402094 0.86 PTGS2 (0.43) MAPK14ALDH1A1L3MBTL1ATMPRKCZ
SCHEMBL23403526 0.84 NPC1 (0.48) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23398460 0.83 RIPK2 (0.50) RIPK2MAPK14MAPK13MAPK12MAPK11
SCHEMBL23398885 0.82 PTGS2 (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL23401145 0.82 RIPK2 (0.56) 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