SCHEMBL3834508

SCHEMBL3834508

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
SLC15A1 P46059 1/20 0.35
CYP2C19 P33261 1/20 0.35
CPA1 P15085 2/20 0.34
CPB1 P15086 1/20 0.34
CPA3 P15088 1/20 0.34
CPB2 Q96IY4 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 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
SCHEMBL3192649 0.84 CYP1A2 (0.42) LTA4HSLC15A1CYP2C19CPA3ALDH1A1
SCHEMBL8663901 0.83 SLC7A5 (0.54) LTA4HALPIPKMPTGS1XIAP
SCHEMBL6581938 0.81 LARS1 (0.47) LTA4HSLC7A5ALDH1A1
SCHEMBL9115063 0.80 POLB (0.50) LTA4HGABBR2GABBR1POLBMAPK1
SCHEMBL18342512 0.78 ALDH1A1 (0.38) NPSR1ALDH1A1GLATSHR
SCHEMBL1562840 0.75 ACE (0.41) ALDH1A1GLATSHR
SCHEMBL27459998 0.75 ACE (0.41) ALDH1A1GLATSHR
SCHEMBL5676105 0.75 SLC7A5 (0.36) SLC7A5SLC15A1NPSR1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL10509889 0.74 ACE (0.40) ALDH1A1GLATSHR
SCHEMBL31527967 0.74 ALDH1A1 (0.56) CYP2C19ALDH1A1HTTKMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024023368-A1 PREDICTION OF AN INCREASE OF DPP3 IN A PATIENT WITH SEPTIC SHOCK 4TEEN4 Pharmaceuticals GmbH (DE) 2024-02-01 WO disclosed
US-20230193348-A1 DPP3 FOR THERAPY GUIDANCE, MONITORING AND STRATIFICATION OF NT-ADM ANTIBODIES IN PATIENTS WITH SHOCK 4TEEN4 Pharmaceuticals GmbH (DE) 2023-06-22 US disclosed
EP-4111204-A1 DPP3 FOR THERAPY GUIDANCE, MONITORING AND STRATIFICATION OF NT-ADM ANTIBODIES IN PATIENTS WITH SHOCK 4TEEN4 Pharmaceuticals GmbH (DE) 2023-01-04 EP disclosed
EP-1942918-A4 BLACK TEA POLYPHENOLS AND USES THEREOF MITSUI NORIN KK (JP) 2009-09-09 EP disclosed
EP-1942918-A1 BLACK TEA POLYPHENOLS AND USES THEREOF Mitsui Norin Co., Ltd (JP) 2008-07-16 EP disclosed
WO-2007038291-A1 BLACK TEA POLYPHENOLS AND USES THEREOF MITSUI NORIN CO., LTD (JP) 2007-04-05 WO disclosed