SCHEMBL28449306

SCHEMBL28449306

CCCCC=CC(/C=C/O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 4/20 0.36
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
CETP P11597 4/20 0.36
MAPK1 P28482 3/20 0.36
THRB P10828 3/20 0.36
GMNN O75496 2/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 2/20 0.36
POLB P06746 2/20 0.36
CXCR5 P32302 2/20 0.36
CCR6 P51684 2/20 0.36
BLM P54132 2/20 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
SCHEMBL28097067 0.78 ABCG2 (0.41) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL8185806 0.72 MEN1 (0.46) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL6698177 0.72 MEN1 (0.50) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL7768205 0.72 MEN1 (0.50) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL8185809 0.72 MEN1 (0.46) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL11806456 0.72 MEN1 (0.50) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL2008706 0.72 MEN1 (0.39) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL2008705 0.72 MEN1 (0.39) MEN1KMT2ACYP3A4MAPTSPHK2
SCHEMBL28770 0.70
SCHEMBL16290083 0.70

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-111479548-A Oral composition 狮王株式会社 2020-07-31 CN disclosed