SCHEMBL23398797

SCHEMBL23398797

CCCCc1c(-c2cccc(C)c2)[nH]n(CCC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
TLR8 Q9NR97 1/20 0.38
DAO P14920 1/20 0.37
CYBB P04839 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
MAPK14 Q16539 4/20 0.35
ICMT O60725 2/20 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
SCHEMBL23402942 0.95 MEN1 (0.45) KDM4EKMT2AMEN1TP53DCTPP1
SCHEMBL23398839 0.94 CYBB (0.43) KDM4EKMT2AMEN1TP53DAO
SCHEMBL23402634 0.90 KMT2A (0.38) KDM4EKMT2AMEN1TP53TLR8
SCHEMBL23400450 0.87 KMT2A (0.48) KDM4EKMT2AMEN1TP53TLR8
SCHEMBL23402058 0.87 KDM4E (0.43) KDM4EKMT2AMEN1TP53DCTPP1
SCHEMBL23401157 0.87 CYBB (0.48) KDM4EKMT2AMEN1DCTPP1CYBB
SCHEMBL23399516 0.86 KDM4E (0.37) KDM4EKMT2AMEN1TP53DCTPP1
SCHEMBL23402928 0.85 KDM4E (0.35) KDM4EKMT2AMEN1TP53DAO
SCHEMBL23400444 0.84 KDM4E (0.39) KDM4EKMT2AMEN1TP53TLR8
SCHEMBL23400763 0.84 ADORA2A (0.41) KDM4EKMT2AMEN1TP53DCTPP1

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