SCHEMBL23403261

SCHEMBL23403261

CCCc1c(-c2cccc(C)c2)[nH]n(CC(C)C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
MAPK14 Q16539 3/20 0.34
ICMT O60725 1/20 0.34
DAO P14920 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL23399516 0.94 KDM4E (0.37) CYBBNOX4NOX1ALDH1A1POLB
SCHEMBL23398838 0.90 ALDH1A1 (0.36) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL23398617 0.88 ALDH1A1 (0.36) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL23399574 0.87 CYBB (0.43) CYBBNOX4NOX1ALDH1A1KMT2A
SCHEMBL23398839 0.86 CYBB (0.43) CYBBNOX4NOX1ALDH1A1POLB
SCHEMBL23400499 0.86 CYBB (0.53) CYBBNOX4NOX1ALDH1A1POLB
SCHEMBL23399909 0.85 CYBB (0.43) CYBBNOX4NOX1ALDH1A1POLB
SCHEMBL23402929 0.83 ALDH1A1 (0.38) ALDH1A1POLBMAPK1MEN1KMT2A
SCHEMBL23401762 0.82 CYBB (0.42) CYBBNOX4NOX1ALDH1A1POLB
SCHEMBL23402573 0.81 CYBB (0.44) CYBBNOX4NOX1ALDH1A1POLB

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