SCHEMBL1912643

SCHEMBL1912643

CCOC(=O)CC(C)NC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CAD P27708 1/20 0.46
ALDH1A1 P00352 5/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1405629 0.82 MGAM (0.48) ALOX15MGAMGAASIMGAM2
SCHEMBL13356642 0.82 MGAM (0.48) ALOX15MGAMGAASIMGAM2
SCHEMBL22246440 0.82 MGAM (0.48) ALOX15MGAMGAASIMGAM2
SCHEMBL10056846 0.82 TSHR (0.39) ALOX15MGAMGAASIMGAM2
SCHEMBL10055597 0.82 TSHR (0.39) ALOX15MGAMGAASIMGAM2
SCHEMBL19974305 0.81 MGAM (0.43) ALOX15MGAMGAASIMGAM2
SCHEMBL14521536 0.81 MGAM (0.46) ALOX15MGAMGAASIMGAM2
SCHEMBL8972157 0.81 MGAM (0.46) ALOX15MGAMGAASIMGAM2
SCHEMBL25974903 0.81 GAA (0.46) ALOX15MGAMGAASIMGAM2
SCHEMBL10362612 0.79 DPP4 (0.43) ALOX15MGAMGAASIMGAM2

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
EP-2435409-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS Novartis AG (CH) 2012-04-04 EP disclosed
WO-2010136493-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-5385985-A Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1995-01-31 US disclosed
EP-0378930-A1 Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1990-07-25 EP disclosed