Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL7319129

C1CCCC1.O=C(O)CCS

nearest known ligand 0.57

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.57
FOLH1 Q04609 3/20 0.52
LMNA P02545 3/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
ANPEP P15144 2/20 0.42
ENPEP Q07075 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40

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
Cyclohexane SCHEMBL3628851 0.94 ACE (0.52) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL10853644 0.90 ACE (0.67) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL7289 0.90
Mercaptopropionic Acid SCHEMBL29228074 0.90 ACE (0.67) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL25408451 0.87
Mercaptopropionic Acid SCHEMBL22091509 0.87
Mercaptopropionic Acid SCHEMBL3627102 0.87 ACE (0.63) ACEFOLH1LMNAALKBH5SUCNR1
Mercaptopropionic Acid SCHEMBL21722121 0.87
Mercaptopropionic Acid SCHEMBL21805982 0.87
Mercaptopropionic Acid SCHEMBL1681623 0.87

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108350032-A Modulation of gamma C-cytokine activity 比奥尼斯有限责任公司 2018-07-31 CN disclosed
EP-0119705-B1 OCTAPEPTIDE VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-09-06 EP disclosed
US-4587045-A Intermediates for preparing octapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-05-06 US disclosed
US-4542124-A Octapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1985-09-17 US disclosed
EP-0119705-A2 Octapeptide vasopressin antagonists SMITHKLINE BECKMAN CORPORATION (US) 1984-09-26 EP disclosed