Mercaptopropionic Acid

Mercaptopropionic Acid

SCHEMBL8724601

CCCC.O=C(O)CCS.O=C(O)CCS.O=C(O)CCS

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
ACE P12821 1/20 0.55
AKR1B1 P15121 1/20 0.50
FOLH1 Q04609 1/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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 SCHEMBL970738 1.00 FFAR3 (0.58) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL26656742 0.92 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
Mercaptopropionic Acid SCHEMBL5424483 0.91 ACE (0.57) FFAR3HDAC3HDAC1HDAC2HDAC8
Mercaptopropionic Acid SCHEMBL436192 0.91 ACE (0.57) FFAR3HDAC3HDAC1HDAC2HDAC8
Mercaptopropionic Acid SCHEMBL28066151 0.91
Mercaptopropionic Acid SCHEMBL10646672 0.89 FFAR3 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
Mercaptopropionic Acid SCHEMBL5477406 0.88
Mercaptopropionic Acid SCHEMBL7779538 0.88 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Mercaptopropionic Acid SCHEMBL22471706 0.88 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Mercaptopropionic Acid SCHEMBL28405529 0.88 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8

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
WO-1998004651-A1 COMBINATION OF OPTICAL ELEMENTS MERCK PATENT GMBH (DE) 1998-02-05 WO disclosed