SCHEMBL30804149

SCHEMBL30804149

N[C@@H](CCS)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.47
MME P08473 6/20 0.44
ACE P12821 1/20 0.41
PTGS1 P23219 2/20 0.38
SLC7A11 Q9UPY5 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7202874 0.89 ACE (0.43) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL7202871 0.89 ACE (0.43) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL21134741 0.87 ACE (0.55) ACEPTGS1SLC7A11GSTK1CA2
SCHEMBL16770231 0.87 ACE (0.55) ACEPTGS1SLC7A11GSTK1CA2
SCHEMBL30438134 0.86 ACE (0.41) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL30437433 0.86 ACE (0.41) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL29405310 0.86 ACE (0.41) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL29402233 0.86 ACE (0.41) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL29402083 0.86 ACE (0.41) ACEPTGS1SLC7A11GSTK1ANPEP
SCHEMBL27820990 0.85 MME (0.50) TGFBR1MMEACEPTGS1SLC7A11

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
EP-3356386-B1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR PATHWAY-ASSOCIATED DISORDERS RHYTHM PHARMACEUTICALS INC (US) 2024-02-14 EP claimed