Nonacosane

Nonacosane

SCHEMBL28207166

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC.O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.83
CYP1A2 P05177 8/20 0.80
MEN1 O00255 8/20 0.80
KMT2A Q03164 8/20 0.80
CYP1A1 P04798 7/20 0.80
CYP1B1 Q16678 7/20 0.80
CYP3A4 P08684 7/20 0.80
FTO Q9C0B1 6/20 0.80
CYP2C9 P11712 6/20 0.80
XDH P47989 6/20 0.80
KDM4E B2RXH2 6/20 0.80
MAPT P10636 5/20 0.80
CYP2D6 P10635 5/20 0.80
ALOX15 P16050 5/20 0.80
HSD17B10 Q99714 5/20 0.80
BCHE P06276 4/20 0.80
ACHE P22303 4/20 0.80
CYP2C19 P33261 4/20 0.80
CA12 O43570 4/20 0.80
PPARG P37231 4/20 0.80

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
Kaempferol SCHEMBL31256029 0.91 MEN1 (0.97) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL29378805 0.89 MEN1 (1.00) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL30655455 0.89 MEN1 (1.00) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL18817 0.89 MEN1 (1.00) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL1259228 0.89 MEN1 (1.00) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL31749037 0.88 MEN1 (0.97) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL31577746 0.88 MEN1 (0.97) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL34461912 0.88 MEN1 (0.97) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL38651062 0.88 MEN1 (0.97) ABCB1CYP1A2MEN1KMT2ACYP1A1
Kaempferol SCHEMBL17237761 0.88 MEN1 (0.97) ABCB1CYP1A2MEN1KMT2ACYP1A1

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-108713598-A Jinseng health-care milk beverage and preparation method thereof 中国农业科学院特产研究所 2018-10-30 CN disclosed
CN-108013170-A Double golden tea of benevolence profit 许君寿 2018-05-11 CN disclosed