SCHEMBL23399374

SCHEMBL23399374

CCCCc1c(-c2ccccc2)[nH]n(CCCC)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYBB P04839 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
DCTPP1 Q9H773 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD11B1 P28845 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL23402930 0.94 CYBB (0.54) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23401157 0.94 CYBB (0.48) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23403309 0.90 MEN1 (0.57) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23401940 0.90 CYBB (0.49) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23402321 0.89 CYBB (0.40) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23402942 0.87 MEN1 (0.45) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23402789 0.85 CYBB (0.50) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23400114 0.85 CYBB (0.56) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23399357 0.85 MEN1 (0.55) MEN1KMT2ACYBBNOX4NOX1
SCHEMBL23403033 0.85 MEN1 (0.49) MEN1KMT2ACYBBNOX4NOX1

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