SCHEMBL20852142

SCHEMBL20852142

NNC(=O)COCC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.42
KDM4E B2RXH2 7/20 0.37
KDM5C P41229 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
THPO P40225 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 6/20 0.35
OGG1 O15527 2/20 0.35
LMNA P02545 3/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32
KDM6B O15054 1/20 0.31
KDM4A O75164 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
SCHEMBL4408750 0.89 KDM4E (0.43) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL345383 0.81
SCHEMBL11379362 0.80 TPI1 (0.43) KDM4EKDM5CPHF8KDM2ATSHR
SCHEMBL16193202 0.79 KDM4E (0.40) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL15144321 0.79 GAA (0.42) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL13707242 0.78
SCHEMBL14669006 0.78 MCL1 (0.34) CTSDKDM4EALDH1A1LMNAMAPT
SCHEMBL10125837 0.78 CTSD (0.46) CTSDKDM4ECYP1A2TSHRALDH1A1
SCHEMBL18045691 0.77 GAA (0.45) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL21658868 0.77 GAA (0.45) CTSDKDM4EKDM5CPHF8KDM2A

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
EP-3988120-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2022-04-27 EP disclosed
EP-3351248-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2021-06-09 EP disclosed
WO-2019060051-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR TREATING HYPERKALEMIA ARDELYX, INC. (US) 2019-03-28 WO disclosed