SCHEMBL6157

SCHEMBL6157

CS(=O)(=O)c1ccc(COc2ccc(CCC(C(N)=O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
FFAR1 O14842 2/20 0.41
MMP12 P39900 1/20 0.41
PTPRZ1 P23471 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5796 0.87 MAOB (0.46) PARP10FFAR1MMP12
SCHEMBL6211 0.85 MAOB (0.57) FFAR1
SCHEMBL5810 0.85 MMP1 (0.48) PARP10FFAR1PTPRZ1
SCHEMBL6072 0.81 LMNA (0.52) CA12CA1CA2CA7CA9
SCHEMBL11898792 0.81 ADAMTS4 (0.48)
SCHEMBL11899992 0.80 PARP10 (0.48) PARP10CA12CA1CA2CA7
SCHEMBL6011 0.79 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL5635 0.77 MMP2 (0.51) FFAR1
SCHEMBL12048 0.77 ACACB (0.47) CA12CA1CA2CA7CA9
SCHEMBL6159 0.76 PDE4A (0.43) PARP10PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 WO disclosed