SCHEMBL27861815

SCHEMBL27861815

CCON(C=O)CC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
FFAR3 O14843 1/20 0.32
BLM P54132 2/20 0.31
PMP22 Q01453 2/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8735298 0.81 TDP1 (0.31) TDP1EYA2APPACEFFAR3
Ammonia Solution, Strong SCHEMBL27472350 0.79 EYA2 (0.30) TDP1EYA2APPACE
SCHEMBL21626180 0.77
SCHEMBL1274837 0.74
SCHEMBL959395 0.72 TDP1 (0.31) TDP1EYA2APPACEBLM
SCHEMBL11189750 0.72 CYP1A2 (0.41) TDP1MGAMGAASIMGAM2
SCHEMBL27519289 0.72 FFAR3 (0.38) TDP1EYA2APPACEFFAR3
SCHEMBL3338460 0.72 FFAR3 (0.38) TDP1EYA2APPACEFFAR3
SCHEMBL8663088 0.72 FFAR3 (0.38) TDP1EYA2APPACEFFAR3
SCHEMBL3326949 0.71

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-103896796-A Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS INST FOR BIOMEDICAL RES INC 2014-07-02 CN disclosed
CN-103313708-A Method of treating contrast-induced nephropathy NOVARTIS AG 2013-09-18 CN disclosed
CN-102574801-A Substituted aminopropionic acid derivatives as enkephalinase inhibitors NOVARTIS AG 2012-07-11 CN disclosed