SCHEMBL4551529

SCHEMBL4551529

CCC(C)COC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 1/20 0.55
CYP1A2 P05177 1/20 0.54
HRH1 P35367 1/20 0.54
SLC25A20 O43772 3/20 0.48
TP53 P04637 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
SLC6A5 Q9Y345 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC22A16 Q86VW1 1/20 0.46

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
SCHEMBL29112155 0.85 LMNA (0.51) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL21877827 0.85 LMNA (0.51) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL7196471 0.85 MEN1 (0.59) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL1580327 0.85 MEN1 (0.59) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL28472782 0.84 MEN1 (0.53) MEN1KMT2ACYP2C19RECQLCYP1A2
Hydrochloric Acid SCHEMBL8956960 0.83 MEN1 (0.57) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL10496268 0.81 MEN1 (0.64) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL17969447 0.81 MEN1 (0.64) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL5600106 0.78 MEN1 (0.60) MEN1KMT2ACYP2C19RECQLCYP1A2
SCHEMBL1208087 0.77 MEN1 (0.71) MEN1KMT2ACYP2C19RECQLCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116879440-A Sorghum variety identification method based on metabolic substance composition difference 泸州品创科技有限公司 2023-10-13 CN claimed
CN-116879440-A Sorghum variety identification method based on metabolic substance composition difference 泸州品创科技有限公司 2023-10-13 CN disclosed
US-20090318369-A1 BIOMARKERS FOR ALZHEIMER'S DISEASE AND METHODS USING THE SAME PAIGE LISA A 2009-12-24 US disclosed