SCHEMBL23398559

SCHEMBL23398559

CCCCc1c(O)c(C(C)(C)C)nn1-c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.48
ALDH1A1 P00352 2/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
LMNA P02545 2/20 0.36
CTSK P43235 1/20 0.36
MAPK9 P45984 1/20 0.36
DDR2 Q16832 1/20 0.36
MAPT P10636 1/20 0.36
KLKB1 P03952 1/20 0.35
RPA1 P27694 1/20 0.35
PRKCZ Q05513 1/20 0.35
APLNR P35414 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.34
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL23401654 0.93 RIPK2 (0.50) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23398917 0.87 RIPK2 (0.52) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401957 0.86 ALDH1A1 (0.40) RIPK2ALDH1A1LMNACTSKMAPT
SCHEMBL23403568 0.86 POLB (0.40) ALDH1A1LMNAMAPTL3MBTL1ATM
SCHEMBL23402048 0.85 ALDH1A1 (0.40) RIPK2ALDH1A1LMNACTSKMAPT
SCHEMBL23401288 0.85 ALDH1A1 (0.40) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23399544 0.85 CDK8 (0.35) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23399856 0.85 ALDH1A1 (0.44) ALDH1A1LMNACTSKMAPTRPA1
SCHEMBL23398930 0.84 RIPK2 (0.49) RIPK2ALDH1A1MAPK14MAPK13MAPK12
SCHEMBL23401433 0.83 RIPK2 (0.40) RIPK2ALDH1A1MAPK14MAPK13MAPK12

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