Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL30719339

CC(C)(CO)CO.O=C(O)CCS.O=C(O)CCS.O=C(O)CCS

nearest known ligand 0.46

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
FOLH1 Q04609 5/20 0.42
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ANPEP P15144 2/20 0.35
ENPEP Q07075 2/20 0.35
SLC15A2 Q16348 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
GSTK1 Q9Y2Q3 2/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
Mercaptopropionic Acid SCHEMBL999709 1.00 ACE (0.46) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL29602032 0.86 ACE (0.46) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL356289 0.86 ACE (0.46) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL30056676 0.86 ACE (0.46) ACEFOLH1LMNAALKBH5SUCNR1
Succinic Acid SCHEMBL8832713 0.85 EGLN1 (0.53) FOLH1LMNAALKBH5SUCNR1EGLN1
Mercaptopropionic Acid SCHEMBL11652281 0.85 ACE (0.55) ACEFOLH1LMNAALKBH5SUCNR1
Thioglycolic Acid SCHEMBL98652 0.82 HMGCR (0.38) FOLH1LMNAFFAR3KDM4E
Thioglycolic Acid SCHEMBL6852862 0.82 HMGCR (0.38) FOLH1LMNAFFAR3KDM4E
Thioglycolic Acid SCHEMBL1468349 0.82 HMGCR (0.38) FOLH1LMNAFFAR3KDM4E
Mercaptopropionic Acid SCHEMBL11554963 0.82 CYP2D6 (0.44) ACEFOLH1LMNAALKBH5SUCNR1

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-117362591-A Self-healing elastomer 江南大学 2024-01-09 CN disclosed