SCHEMBL7874826

SCHEMBL7874826

C[C@@H]([C@@H](CCCOCc1ccccc1)C(=O)O)N(O)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.42
MMP3 P08254 2/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 1/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TEAD3 Q99594 1/20 0.38
MME P08473 1/20 0.38
ALOX5 P09917 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4290877 0.83 GRIK1 (0.43) MEN1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7879161 0.83 GRIK1 (0.43) MEN1CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7873373 0.82 LTB4R (0.44) CYP2D6CYP2C9CYP2C19KMT2AALOX5
SCHEMBL7876532 0.81 LTB4R (0.46) ALOX5
SCHEMBL7876539 0.80 SMN1; SMN2 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7879180 0.77 CTSB (0.39) CTSBSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7953565 0.77 FDFT1 (0.43) MMP9MME
SCHEMBL7874835 0.76 FFAR1 (0.44) MMP9
SCHEMBL22087968 0.76 MMP3 (0.46) MMP3MMP9MMP8L3MBTL1MMP1
SCHEMBL7873355 0.74 ALOX5 (0.40) CYP2D6ALOX5

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed