Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL4955336

CC(C(=O)O)N1C(=O)C=CC1=O.O=C(O)CCS

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ACE P12821 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 2/20 0.34
USP5 P45974 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL932564 0.85 CSNK2A2 (0.48) PTGS1PTGS2CSNK2A2CSNK2BCSNK2A1
SCHEMBL43717 0.85 CSNK2A2 (0.48) PTGS1PTGS2CSNK2A2CSNK2BCSNK2A1
SCHEMBL15318993 0.85 CSNK2A2 (0.48) PTGS1PTGS2CSNK2A2CSNK2BCSNK2A1
SCHEMBL15391718 0.83 PTGS1 (0.51) PTGS1PTGS2CSNK2A2CSNK2BCSNK2A1
SCHEMBL28981240 0.83 CSNK2A2 (0.47) PTGS1PTGS2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6047333 0.72 KMT2A (0.42) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
SCHEMBL27546535 0.72 ALDH1A1 (0.41) PTGS1PTGS2CYP1A2ALDH1A1HPGD
Mercaptopropionic Acid SCHEMBL6324790 0.71 ACE (0.48) PTGS2CYP1A2FOLH1ACEALDH1A1
Mercaptopropionic Acid SCHEMBL7183577 0.71 ACE (0.48) PTGS2CYP1A2FOLH1ACEALDH1A1
SCHEMBL326701 0.70 PTGS1 (0.47) PTGS1PTGS2CYP1A2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399747-B1 Peptides carrying substances across the blood brain barrier SYNT:EM (FR) 2008-07-15 US disclosed
EP-1135168-B1 PEPTIDES CARRYING SUBSTANCES ACROSS THE BLOOD BRAIN BARRIER SYNT EM SA (FR) 2005-04-20 EP disclosed