SCHEMBL28211449

SCHEMBL28211449

CCCCCCCCCCCCCCCC/C(=C/C(N)=O)C(=O)O.[La]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FAAH O00519 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SOAT1 P35610 1/20 0.47
GPR84 Q9NQS5 7/20 0.47
PPARG P37231 7/20 0.47
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
HDAC11 Q96DB2 5/20 0.47
TSHR P16473 4/20 0.47
PTPN1 P18031 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR2 O60603 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FABP4 P15090 2/20 0.47
SLC22A6 Q4U2R8 1/20 0.47

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
SCHEMBL9359946 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL9360654 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL22528548 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL1289324 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL10433254 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL9359672 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL7191250 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL9364020 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL9643885 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL28210819 0.98 MEN1 (0.48) MEN1KMT2AFAAHTP53CYP1A2

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
CN-107936294-A A kind of N cetyls maleamic acid lanthanum (III) shepardite compound 西安科技大学 2018-04-20 CN disclosed