SCHEMBL7122273

SCHEMBL7122273

CCC(S)CC(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.40
OR51E2 Q9H255 1/20 0.40
FFAR1 O14842 1/20 0.40
RNPEP Q9H4A4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TET2 Q6N021 4/20 0.36
KDM4A O75164 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM2A Q9Y2K7 2/20 0.36
TET3 O43151 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ACE P12821 2/20 0.35
MME P08473 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
TP53 P04637 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
SCHEMBL9360899 0.79 GPR84 (0.53) GPR84FFAR1SLC1A3SLC1A2SLC1A1
SCHEMBL6809903 0.78 RNPEP (0.58) RNPEPSLC1A3SLC1A2SLC1A1ACE
SCHEMBL10729851 0.76 ENPEP (0.48) RNPEPSLC1A3SLC1A2SLC1A1ACE
SCHEMBL8658630 0.75 OR51E2 (0.43) GPR84OR51E2FFAR1SMN1; SMN2TET2
SCHEMBL1692025 0.75
SCHEMBL27949610 0.74 SLC1A2 (0.59) SLC1A3SLC1A2SLC1A1
SCHEMBL264859 0.73
SCHEMBL6963 0.73
SCHEMBL193026 0.73
SCHEMBL15355768 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309739-A1 PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID Degussa AG (DE) 2003-05-14 EP disclosed
WO-2002016671-A1 PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID DEGUSSA AG (DE) 2002-02-28 WO disclosed
US-5777151-A REACTING CARBOXYLIC ACID SALT WITH ORGANIC HALOCOMPOUND USING ONIUM SALT PHASE TRANSFER CATALYST RHONE-POULENC CHIMIE (FR) 1998-07-07 US disclosed