SCHEMBL10158

SCHEMBL10158

CS(=O)(=O)C(CCC(N)=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.52
MMP2 P08253 3/20 0.52
PTGS2 P35354 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
ADAMTS4 O75173 1/20 0.39
GRIA4 P48058 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL11834847 0.88 MMP9 (0.50) MMP9MMP2PTGS2PDE4APDE4B
SCHEMBL11899995 0.82 PARP10 (0.48)
SCHEMBL5861 0.75 FFAR1 (0.56) FFAR1
SCHEMBL11829934 0.75 MMP2 (0.50) MMP9MMP2PTGS2FFAR1
SCHEMBL6074 0.75 CA12 (0.46) MMP9MMP8MMP13
SCHEMBL15422345 0.75 MMP2 (0.44) MMP9MMP2PTGS2MMP8
SCHEMBL10770 0.75 MMP2 (0.47) MMP9MMP2PTGS2FFAR1
SCHEMBL23174395 0.74 CYP2C19 (0.46) MMP2PDE4APDE4BPDE4CPDE4D
SCHEMBL15422786 0.74 ALDH1A1 (0.43) MMP9MMP2PTGS2
SCHEMBL11831157 0.74 MMP9 (0.55) MMP9MMP2PTGS2PDE4APDE4B

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