Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL7634540

CCCC[Sn+3].O=C([O-])CCS.O=C([O-])CCS.O=C([O-])CCS

nearest known ligand 0.52

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
FFAR3 O14843 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
FABP3 P05413 5/20 0.41
CA2 P00918 2/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
NFKB1 P19838 1/20 0.40
GPR84 Q9NQS5 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
Butyric Acid SCHEMBL11746797 0.85 FFAR3 (0.67) CA1FFAR3HDAC3HDAC1HDAC2
Thioglycolic Acid SCHEMBL7700486 0.85 CA1 (0.46) CA1FFAR3HDAC3HDAC1HDAC2
Dodecanoate SCHEMBL677104 0.81 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Dodecanoate SCHEMBL6796551 0.81 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Octanoic Acid SCHEMBL2571699 0.81 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Stearic Acid SCHEMBL8444190 0.81 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Myristic Acid SCHEMBL29384174 0.81 FABP3 (0.62) CA1FABP3CES2CES1NFKB1
Mercaptopropionic Acid SCHEMBL361820 0.78 CA1 (0.50) CA1FFAR3HDAC3HDAC1HDAC2
Tetrabuthylammonium SCHEMBL20994171 0.78 CA1 (0.50) CA1FFAR3HDAC3HDAC1HDAC2
Acetic Acid SCHEMBL674467 0.77 CES1 (0.46) CA1FFAR3HDAC3HDAC1HDAC2

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
EP-1242536-A2 CHLORINATED POLYOLEFIN RESIN COMPOSITION Showa Denko K.K. (JP) 2002-09-25 EP disclosed
WO-2002016487-A2 CHLORINATED POLYOLEFIN RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2002-02-28 WO disclosed