SCHEMBL9067650

SCHEMBL9067650

O=C(O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)C(S)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.40
MME P08473 6/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ECE1 P42892 1/20 0.39
BLM P54132 1/20 0.39
NPEPPS P55786 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR139 Q6DWJ6 2/20 0.39
ITGB3 P05106 3/20 0.38
ITGB1 P05556 3/20 0.38
ITGAV P06756 3/20 0.38
ITGA5 P08648 3/20 0.38
MDM2 Q00987 2/20 0.38
MDM4 O15151 1/20 0.37
PTGS1 P23219 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
SCHEMBL2028236 0.85 ACE (0.47) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL7745199 0.85 ACE (0.47) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL8595093 0.85 ACE (0.51) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL9067654 0.78 GPR139 (0.47) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL9067249 0.78 GPR139 (0.47) ACEMMEMEN1KMT2AGPR139
SCHEMBL9067648 0.78 ACE (0.46) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL8721012 0.74 PTGS1 (0.47) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL8721016 0.74 PTGS1 (0.47) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL10720961 0.74 KMT2A (0.38) ACEMMEALDH1A1HPGDMAPK1
SCHEMBL29355102 0.72 PTGS1 (0.44) ACEMMEALDH1A1MAPTECE1

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