SCHEMBL2888048

SCHEMBL2888048

N[C@@H](CO)C(=O)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NPY1R P25929 1/20 0.39
PTGS2 P35354 1/20 0.39
OPRD1 P41143 1/20 0.39
MTOR P42345 1/20 0.39
HK2 P52789 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC1A1 P43005 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL27814309 0.87 SLC15A1 (0.43) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL27587942 0.79 SLC15A1 (0.36) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL29616775 0.78 CRBN (0.40) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL29019106 0.78 PTGS1 (0.54) SLC15A1PTGS1SLC7A11
SCHEMBL11888829 0.78 CRBN (0.40) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL28240743 0.78 PTGS1 (0.54) SLC15A1PTGS1SLC7A11
SCHEMBL7570955 0.78 SLC15A1 (0.42) CYP3A4SLC1A1SLC15A1GRIK1GRIK2
SCHEMBL22306291 0.75 GLS (0.33) ESR2KDM4EALDH1A1ESR1ADORA3
SCHEMBL574720 0.74
SCHEMBL2208197 0.74

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
US-8383755-B2 Enzyme-medicated cross-linking of silicone polymers BROCK UNIVERSITY (CA) 2013-02-26 US disclosed
US-20100283183-A1 ENZYME-MEDICATED CROSS-LINKING OF SILICONE POLYMERS BROCK UNIVERSITY (CA) 2010-11-11 US disclosed
WO-2008154731-A1 ENZYME-MEDIATED CROSS-LINKING OF SILICONE POLYMERS BROCK UNIVERSITY (CA) 2008-12-24 WO disclosed