SCHEMBL528840

SCHEMBL528840

CC(C)[C@H](N)C(=O)OCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SLC7A5 Q01650 1/20 0.38
DGKA P23743 1/20 0.37
FAAH O00519 2/20 0.36
PDE3A Q14432 1/20 0.34
PRKCA P17252 1/20 0.33
USP2 O75604 2/20 0.32
PSMB5 P28074 1/20 0.32
GLS O94925 1/20 0.32
TSHR P16473 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL3735895 0.90 SLC7A5 (0.42) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL7890746 0.84 SLC7A5 (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL2781384 0.83 LMNA (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28701903 0.83 LMNA (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL29806190 0.81 PRKCA (0.49) PDE3APRKCA
SCHEMBL19731883 0.79 LMNA (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL320232 0.79 LMNA (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3635596 0.79 LMNA (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL10363386 0.79 TSHR (0.50) SLC7A5PSMB5GLSTSHR
SCHEMBL31683702 0.79 LMNA (0.48) KDM4EDUSP3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159466-A1 PREPARATION OF LIPOPHILIC ACTIVE INGREDIENTS SPI PHARMA, INC. (US) 2022-07-28 WO disclosed
CN-105288634-A Preparation method of glycerin-amino acid deep eutectic solvent UNIV NANJING AGRICULTURAL 2016-02-03 CN disclosed
EP-2598873-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2013-06-05 EP disclosed
WO-2012015904-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2012-02-02 WO disclosed