SCHEMBL23402157

SCHEMBL23402157

CC(C)(C)c1c(N)c(=O)n(C2CCCC2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
PTGS2 P35354 1/20 0.40
PKM P14618 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR2 P25090 2/20 0.36
FPR1 P21462 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 2/20 0.35
GAA P10253 1/20 0.35
GRM1 Q13255 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ATM Q13315 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
SCHEMBL23400271 0.99 BCHE (0.39) BCHEPTGS2PKMHKDC1L3MBTL1
SCHEMBL23401070 0.83 BCHE (0.53) BCHEPTGS2NPSR1ALOX15GAA
SCHEMBL23402467 0.82 BCHE (0.51) BCHEPTGS2NPSR1ALOX15GAA
SCHEMBL23402216 0.80 FPR2 (0.36) PKMHKDC1L3MBTL1FPR2FPR1
SCHEMBL23399419 0.80 PDE4A (0.40) BCHEPTGS2NPSR1ALOX15GAA
SCHEMBL23400289 0.79 ALDH1A1 (0.40) BCHEPTGS2NPSR1ALOX15GAA
SCHEMBL23403584 0.79 BCHE (0.53) BCHEPTGS2PKMHKDC1L3MBTL1
SCHEMBL23401272 0.78 CNR1 (0.40) BCHEPTGS2NPSR1ALOX15GAA
SCHEMBL23398632 0.77 BCHE (0.56) BCHEPTGS2NPSR1ALOX15GAA
SCHEMBL23401048 0.76 BCHE (0.54) BCHEPTGS2PKMHKDC1L3MBTL1

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