Glycine

Glycine

SCHEMBL11338366

CCc1cccc(C)c1N[C@@H](C)C(=O)OCCOC.NCC(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Glycine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
NLRP3 Q96P20 3/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
Glycine SCHEMBL11343246 0.97 PTGS2 (0.40) PTGS2NLRP3POLBMAPK1HTT
SCHEMBL11339692 0.93 NLRP3 (0.46) PTGS2NLRP3POLBMAPK1HTT
SCHEMBL11339694 0.93 NLRP3 (0.46) PTGS2NLRP3POLBMAPK1HTT
Glycine SCHEMBL11343520 0.92 MAPK1 (0.41) PTGS2NLRP3POLBMAPK1HTT
Glycine SCHEMBL11341480 0.90 NLRP3 (0.43) PTGS2NLRP3POLBMAPK1HTT
SCHEMBL11344719 0.90 NLRP3 (0.43) PTGS2NLRP3POLBMAPK1HTT
SCHEMBL11344721 0.90 NLRP3 (0.43) PTGS2NLRP3POLBMAPK1HTT
Glycine SCHEMBL11343095 0.89 NLRP3 (0.48) PTGS2NLRP3POLBMAPK1HTT
Glycine SCHEMBL11339857 0.89 PTGS2 (0.46) PTGS2NLRP3POLBMAPK1HTT
Glycine SCHEMBL11340116 0.89 PTGS2 (0.42) PTGS2NLRP3POLBMAPK1HTT

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-4248886-A Combating fungi with N-oxalyl-N-phenyl-aminoacids and esters thereof BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed