SCHEMBL9067258

SCHEMBL9067258

N[C@H](CC(=O)CNC(=O)C(S)C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.39
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
KMO O15229 1/20 0.36
GRIK1 P39086 2/20 0.35
CASR P41180 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ACE P12821 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL8595093 0.79 ACE (0.51) KMT2AACE
SCHEMBL7745199 0.74 ACE (0.47) KMT2AACE
SCHEMBL2028236 0.74 ACE (0.47) KMT2AACE
SCHEMBL9067249 0.73 GPR139 (0.47) KMT2AACE
SCHEMBL8980460 0.72 KMT2A (0.46) KMT2AACE
SCHEMBL29151574 0.71 KMT2A (0.55) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL10720961 0.71 KMT2A (0.38) KMT2AACE
SCHEMBL6623673 0.70 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL7715391 0.69 GRM2 (0.53) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL7207824 0.68 TDP1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5534497-A RADIOPHARMACEUTICALS; MEDICAL DIAGNOSIS MALLINCKRODT MEDICAL, INC. (US) 1996-07-09 US disclosed
US-5187264-A Technetium chelates to be used for determining the renal function MALLINCKRODT MEDICAL, INC. (US) 1993-02-16 US disclosed
EP-0250013-B1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT, INC.(a Missouri corporation) (US) 1990-05-09 EP disclosed
US-4849511-A Technetium chelates to be used for determining the renal function MALLINCKRODT, INC. (US) 1989-07-18 US disclosed
EP-0250013-A1 Technetium chelates to be used for determining the renal function MALLINCKRODT, INC.(a Missouri corporation) (US) 1987-12-23 EP disclosed