SCHEMBL7984293

SCHEMBL7984293

COc1ccccc1S(=O)(=O)/C=C(\CCCN1C(=O)N(C)C(C)(C)C1=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.41
MMP2 P08253 3/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
NFE2L2 Q16236 3/20 0.35
KCNH2 Q12809 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
HTR6 P50406 2/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL7984299 1.00 PLA2G7 (0.41) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL7985329 0.82 MMP1 (0.43) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL7984296 0.76 NFE2L2 (0.34) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL7985258 0.68 PLA2G7 (0.36) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL4827863 0.67 PLA2G7 (0.46) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL6950299 0.65 PLA2G7 (0.42) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL7603860 0.63 PLA2G7 (0.40) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL6952582 0.60 MMP2 (0.38) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL6945448 0.60 MMP2 (0.39) PLA2G7MMP2MMP1MMP3MMP9
SCHEMBL11640023 0.60 KMT2A (0.50) PLA2G7MMP2MMP3MMP9MMP13

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-6274758-B1 ENANTIOMORPH SELECTIVITY DARWIN DISCOVERY, LTD. (GB) 2001-08-14 US disclosed