SCHEMBL6609112

SCHEMBL6609112

CC(C)(C)NS(=O)(=O)CCc1ccc(C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
DPP4 P27487 4/20 0.42
PARP10 Q53GL7 2/20 0.40
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
PTGES2 Q9H7Z7 3/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MMP8 P22894 2/20 0.38
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3082582 0.81 RECQL (0.53) PTGES2CA2CA1MMP8MMP12
SCHEMBL6606484 0.81 PTGES2 (0.43) PTGES2CA2CA1SMN1; SMN2
SCHEMBL507412 0.80 EPHX2 (0.44) EPHX2NR1H4DPP4PARP10PLA2G10
SCHEMBL5012329 0.77 IDO1 (0.54) PTGES2CA2CA1MMP8MMP12
SCHEMBL27804763 0.75 PLA2G10 (0.48) DPP4PARP10PLA2G10PLA2G2ACA2
SCHEMBL6608511 0.75 RECQL (0.58) DPP4PARP10PLA2G10PLA2G2ACA2
SCHEMBL2720492 0.74 PLA2G10 (0.44) EPHX2NR1H4DPP4PARP10PLA2G10
SCHEMBL3084510 0.73 TSHR (0.47) CA2CA1TSHR
SCHEMBL5458574 0.72 CA2 (0.53) CA2CA1ALDH1A1LMNATSHR
SCHEMBL507413 0.71 DPP4 (0.43) DPP4PARP10PLA2G10PLA2G2ACA2

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
EP-1368327-B1 BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-10-20 EP claimed