SCHEMBL23401358

SCHEMBL23401358

CCCc1c(-c2ccc(C)cc2)[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
GAA P10253 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
ADORA2A P29274 3/20 0.36
ADORA2B P29275 3/20 0.36
DCTPP1 Q9H773 1/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34

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
SCHEMBL23398450 0.93 GAA (0.42) CYBBNOX4NOX1GAAMEN1
SCHEMBL23402580 0.88 GAA (0.44) CYBBNOX4NOX1GAAMEN1
SCHEMBL23403265 0.87 CYBB (0.55) CYBBNOX4NOX1GAAMEN1
SCHEMBL23399316 0.84 CYBB (0.42) CYBBNOX4NOX1GAAMEN1
SCHEMBL23401558 0.82 CYBB (0.47) CYBBNOX4NOX1GAAMEN1
SCHEMBL23399129 0.82 GAA (0.42) GAAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL23399323 0.81 CYBB (0.48) CYBBNOX4NOX1GAAMEN1
SCHEMBL23401682 0.79 CYBB (0.47) CYBBNOX4NOX1ALDH1A1HSD17B10
SCHEMBL23401526 0.79 GAA (0.49) GAAMEN1KMT2AALDH1A1HSD17B10
SCHEMBL23401213 0.78 CYBB (0.46) CYBBNOX4NOX1KMT2AALDH1A1

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