SCHEMBL4382976

SCHEMBL4382976

N#Cc1ccc(C[C@H](C(N)=O)N(O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.56
PGR P06401 1/20 0.56
TAS2R14 Q9NYV8 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PTGES O14684 3/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MMP8 P22894 2/20 0.43
MMP3 P08254 2/20 0.43
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
ALOX5 P09917 1/20 0.41
MMP1 P03956 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
SCHEMBL4382974 0.81 NR3C1 (0.53) NR3C1PGRTAS2R14PTGESKEAP1
SCHEMBL1800017 0.75 MMP2 (0.44) NR3C1PTGESMMP8MMP3ALOX5
SCHEMBL1797408 0.74 MMP1 (0.40) NR3C1PTGESMMP8MMP3DAGLA
SCHEMBL6757287 0.74 MMP1 (0.46) NR3C1PTGESMMP8MMP3ALOX5
SCHEMBL3875615 0.73 MMP2 (0.62) KEAP1MMP2MMP9LMNA
SCHEMBL4371638 0.72 PTGES (0.48) NR3C1PTGESMMP8MMP3ALOX5
SCHEMBL4371642 0.72 PTGES (0.48) NR3C1PTGESMMP8MMP3ALOX5
SCHEMBL3868587 0.72 LMNA (0.55) PGRPTGESMMP8MMP3MMP1
SCHEMBL4380644 0.71 MMP2 (0.43) MMP8MMP3MMP1MMP2MMP9
SCHEMBL3870207 0.71 MMP2 (0.61) MMP3MMP1MMP2MMP9MMP13

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed