Glycine

Glycine

SCHEMBL30864261

C=Cc1cccc(Br)c1.NCC(=O)O

nearest known ligand 0.49

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
HSD17B3 P37058 1/20 0.49
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.44
SLC6A19 Q695T7 1/20 0.43
BACE1 P56817 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TGM2 P21980 1/20 0.41
PARP1 P09874 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
PPARG P37231 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM2 Q00987 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL30435177 0.82
SCHEMBL50668 0.82
Ethylene Glycol SCHEMBL5831465 0.80 ALDH1A1 (0.50) HSD17B3ALDH1A1PKMSLC6A19BACE1
Styrene SCHEMBL28475247 0.80 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C19MAPTHTT
SCHEMBL8715895 0.80 ALDH1A1 (0.58) HSD17B3ALDH1A1SLC6A19BACE1CYP1A2
Styrene SCHEMBL11873214 0.75 ALDH1A1 (0.54) ALDH1A1CYP2C19TDP1
SCHEMBL12686013 0.74 EGFR (0.43) HSD17B3ALDH1A1TGM2MAOAMAOB
Methyl Alcohol SCHEMBL27537082 0.74 ALDH1A1 (0.47) HSD17B3ALDH1A1SLC6A19CYP1A2CYP2C19
Bromobenzene SCHEMBL27713764 0.73 ALDH1A1 (0.55) ALDH1A1PARP1MAOAMAOBTDP1
Vinyl Ether SCHEMBL5832123 0.73 ALDH1A1 (0.43) HSD17B3ALDH1A1PKMSLC6A19BACE1

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
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed