SCHEMBL29642017

SCHEMBL29642017

CCCCCCCCCCCCN(CC)CCCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.50
MEN1 O00255 1/20 0.50
FAAH O00519 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM5A P29375 3/20 0.47
KDM4C Q9H3R0 2/20 0.47
KDM4E B2RXH2 2/20 0.46
PHF8 Q9UPP1 2/20 0.44
KCNH2 Q12809 3/20 0.43
CNR1 P21554 1/20 0.43
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G2A P14555 1/20 0.41
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL8386077 0.98 KDM5A (0.49) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL8386369 0.92 KDM5A (0.47) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL29641946 0.90 KDM5A (0.53) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL29642030 0.88 SOAT1 (0.50) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL6050283 0.88 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
Nonanoamide SCHEMBL28607545 0.88 SOAT1 (0.59) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL8386150 0.86 SOAT1 (0.47) SOAT1MEN1FAAHTP53CYP1A2
Palmitamide SCHEMBL2027978 0.85 SOAT1 (0.61) SOAT1MEN1FAAHTP53CYP1A2
Tetradecanamide SCHEMBL1914377 0.85 SOAT1 (0.61) SOAT1MEN1FAAHTP53CYP1A2
Octadecanoic Acid Amide SCHEMBL2023815 0.85 SOAT1 (0.61) SOAT1MEN1FAAHTP53CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094285-B Novel imidazoquinoline compounds, preparation method and application thereof 浙江海正药业股份有限公司 2022-05-10 CN claimed
CN-111094285-B Novel imidazoquinoline compounds, preparation method and application thereof 浙江海正药业股份有限公司 2022-05-10 CN disclosed