SCHEMBL7719360

SCHEMBL7719360

CCNC(NCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
SOAT1 P35610 1/20 0.42
TRPA1 O75762 1/20 0.39
CAD P27708 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MMP8 P22894 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PIN1 Q13526 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL7533706 0.87 ALDH1A1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22747721 0.82 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7719353 0.80 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3598471 0.80 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL28670880 0.77 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29163488 0.77 ACHE (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27443603 0.77 CYP1A2 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21261739 0.77 CAD (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL31173624 0.75 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8312362 0.75 L3MBTL1 (0.44) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399809-B1 FROM MALONIC ACID MONOESTER AMIDE DEGUSSA AG (DE) 2002-06-04 US disclosed