SCHEMBL7202874

SCHEMBL7202874

NC(CCS)C(=O)NC(CCS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
FOLH1 Q04609 2/20 0.41
PTGS1 P23219 2/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.39
NOD1 Q9Y239 1/20 0.38
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7202871 1.00 ACE (0.43) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL29402233 0.96 ACE (0.41) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL29402083 0.96 ACE (0.41) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL29405310 0.96 ACE (0.41) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL30437433 0.96 ACE (0.41) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL30438134 0.96 ACE (0.41) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL929324 0.91 PTGS1 (0.48) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL21134741 0.91 ACE (0.55) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL16770231 0.91 ACE (0.55) ACEFOLH1PTGS1SLC7A11GSTK1
SCHEMBL30625400 0.91 PTGS1 (0.48) ACEFOLH1PTGS1SLC7A11GSTK1

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-6589751-B2 Antibody specific for homocystamide adducts, such as those formed by dehydrating homocysteine to homocysteine thiolactone and reaction this with a carrier such as low density lipoprotein (LDL) to form homocystamide-LDL adduct MCW RESEARCH FOUNDATION 2003-07-08 US disclosed
US-20020015968-A1 IMMUNOLOGICAL DETECTION OF THE HOMOCYSTAMIDE ADDUCT AND A THIOLACTONE IMMUNOASSAY FOR ENDOGENEOUS HOMOCYSTEINE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-07 US disclosed