SCHEMBL6256233

SCHEMBL6256233

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
GPR139 Q6DWJ6 6/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A9 P48067 2/20 0.49
SLC6A5 Q9Y345 2/20 0.49
FOLH1 Q04609 2/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.45
ACE P12821 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL27389072 0.89 GPR139 (0.56) CA2CA1GPR139SLC6A9SLC6A5
SCHEMBL5572853 0.89 GPR139 (0.56) CA2CA1GPR139SLC6A9SLC6A5
SCHEMBL5260686 0.86 CA2 (0.70) CA2CA1KMT2AFOLH1MMP2
SCHEMBL5260684 0.86 CA2 (0.70) CA2CA1KMT2AFOLH1MMP2
SCHEMBL2464334 0.83 GPR139 (0.52) GPR139SLC6A9SLC6A5FOLH1MMP2
SCHEMBL1009379 0.83 GPR139 (0.52) GPR139SLC6A9SLC6A5FOLH1MMP2
SCHEMBL6277441 0.83 GPR139 (0.52) GPR139SLC6A9SLC6A5FOLH1MMP2
SCHEMBL2750013 0.81 C3AR1 (0.50) GPR139SLC6A9SLC6A5FOLH1
SCHEMBL1694411 0.81 C3AR1 (0.50) GPR139SLC6A9SLC6A5FOLH1
SCHEMBL26907173 0.81 C3AR1 (0.65) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994954-B1 T7 PROMOTER-BASED EXPRESSION SYSTEM ASTRAZENECA AB (SE) 2005-09-21 EP disclosed
US-6537779-B1 Host cell transformed with a plasmid comprising operator sequences; use for cloning and expression of toxic gene products and production of heterologous proteins ZENECA LIMITED (GB) 2003-03-25 US disclosed
EP-0994954-A1 T7 PROMOTER-BASED EXPRESSION SYSTEM ZENECA LIMITED (GB) 2000-04-26 EP disclosed
WO-1999005297-A1 T7 PROMOTER-BASED EXPRESSION SYSTEM ZENECA LIMITED (GB) 1999-02-04 WO disclosed