SCHEMBL23401213

SCHEMBL23401213

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
ADORA2A P29274 5/20 0.42
ADORA2B P29275 5/20 0.42
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
DCTPP1 Q9H773 1/20 0.36
DAO P14920 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL23400763 0.93 ADORA2A (0.41) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23403001 0.92 CYBB (0.44) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23401682 0.90 CYBB (0.47) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23403275 0.90 ADORA2A (0.43) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23402321 0.87 CYBB (0.40) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23400114 0.87 CYBB (0.56) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23399323 0.85 CYBB (0.48) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23399909 0.85 CYBB (0.43) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23402775 0.85 ADORA2A (0.40) CYBBNOX4NOX1ADORA2AADORA2B
SCHEMBL23402335 0.83 ADORA2A (0.45) ADORA2AADORA2BALDH1A1HSD17B10TSHR

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