SCHEMBL23399563

SCHEMBL23399563

CCCc1c(O)c(CC)nn1-c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 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
CTSK P43235 1/20 0.39
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DHFR P00374 1/20 0.38
APLNR P35414 1/20 0.38
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.36
RIPK2 O43353 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 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
SCHEMBL23402779 0.93 ALDH1A1 (0.42) ALDH1A1MAPTLMNACTSKRPA1
SCHEMBL23401288 0.92 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23402183 0.90 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23401937 0.90 ALDH1A1 (0.40) ALDH1A1MAPTLMNACTSKRPA1
SCHEMBL23400637 0.89 ALDH1A1 (0.41) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23401543 0.87 ALDH1A1 (0.38) ALDH1A1MAPTLMNACTSKRPA1
SCHEMBL23402048 0.87 ALDH1A1 (0.40) ALDH1A1MAPTLMNACTSKRPA1
SCHEMBL23400426 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNACTSKRPA1
SCHEMBL23401957 0.85 ALDH1A1 (0.40) ALDH1A1MAPTLMNACTSKRPA1
SCHEMBL23403024 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAL3MBTL1MAPK1

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