Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL28297550

O=C(O)CCS.c1ccoc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
FOLH1 Q04609 6/20 0.42
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ANPEP P15144 3/20 0.35
ENPEP Q07075 3/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
KEAP1 Q14145 1/20 0.33
NR4A2 P43354 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32

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
Succinic Acid SCHEMBL18329309 0.85 LMNA (0.53) ACEFOLH1MAPK1TDP1LMNA
Succinic Acid SCHEMBL28022052 0.85 LMNA (0.53) ACEFOLH1MAPK1TDP1LMNA
Thioglycolic Acid SCHEMBL27944912 0.82 MAPK1 (0.44) FOLH1MAPK1TDP1
Mercaptopropionic Acid SCHEMBL7289 0.79
Mercaptopropionic Acid SCHEMBL10853644 0.79 ACE (0.67) ACEFOLH1MAPK1LMNAALKBH5
Mercaptopropionic Acid SCHEMBL29228074 0.79 ACE (0.67) ACEFOLH1MAPK1LMNAALKBH5
Butyric Acid SCHEMBL28543441 0.76 FFAR3 (0.62) MAPK1TDP1SLC22A6TSHR
Mercaptopropionic Acid SCHEMBL25408451 0.76
Mercaptopropionic Acid SCHEMBL21805982 0.76
Mercaptopropionic Acid SCHEMBL3627102 0.76 ACE (0.63) ACEFOLH1MAPK1LMNAALKBH5

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-109705280-A A kind of preparation method of solid polycarboxylic acid water reducing agent 广东科隆智谷新材料股份有限公司 2019-05-03 CN claimed