SCHEMBL23401558

SCHEMBL23401558

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
DCTPP1 Q9H773 1/20 0.45
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL23403265 0.92 CYBB (0.55) CYBBNOX4NOX1DCTPP1ALDH1A1
SCHEMBL23398450 0.89 GAA (0.42) CYBBNOX4NOX1DCTPP1ALDH1A1
SCHEMBL23401370 0.87 KDM4E (0.38) CYBBNOX4NOX1DCTPP1ALDH1A1
SCHEMBL23402122 0.85 ALDH1A1 (0.42) CYBBNOX4NOX1ALDH1A1GAA
SCHEMBL23398418 0.84 LMNA (0.40) DCTPP1ALDH1A1GAACYP2C9CYP2C19
SCHEMBL23401358 0.82 CYBB (0.45) CYBBNOX4NOX1DCTPP1ALDH1A1
SCHEMBL23402789 0.81 CYBB (0.50) CYBBNOX4NOX1DCTPP1ALDH1A1
SCHEMBL23401940 0.80 CYBB (0.49) CYBBNOX4NOX1DCTPP1ALDH1A1
SCHEMBL23401748 0.79 ALDH1A1 (0.40) CYBBNOX4NOX1ALDH1A1GAA
SCHEMBL23399374 0.79 MEN1 (0.52) CYBBNOX4NOX1DCTPP1ALDH1A1

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