SCHEMBL23403265

SCHEMBL23403265

CCCc1c(-c2ccccc2)[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.55
NOX4 Q9NPH5 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
ALDH1A1 P00352 5/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 2/20 0.39
KDM4E B2RXH2 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL23401558 0.92 CYBB (0.47) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23402122 0.88 ALDH1A1 (0.42) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23401358 0.87 CYBB (0.45) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23399316 0.85 CYBB (0.42) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23402091 0.82 MAPT (0.41) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23401748 0.81 ALDH1A1 (0.40) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23401541 0.80 CYBB (0.59) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23398450 0.80 GAA (0.42) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23400665 0.79 CYBB (0.58) CYBBNOX4NOX1ALDH1A1CYP2C9
SCHEMBL23401605 0.78 CYBB (0.67) CYBBNOX4NOX1ALDH1A1CYP2C9

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