SCHEMBL4382974

SCHEMBL4382974

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.53
PGR P06401 1/20 0.53
TAS2R14 Q9NYV8 1/20 0.45
PTGES O14684 3/20 0.43
ACACB O00763 1/20 0.43
DAGLA Q9Y4D2 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MMP8 P22894 3/20 0.41
MMP3 P08254 1/20 0.41
STAT3 P40763 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ALOX5 P09917 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL4372598 0.89 NR3C1 (0.48) NR3C1PGRPTGESDAGLAALOX5
SCHEMBL4382976 0.81 NR3C1 (0.56) NR3C1PGRTAS2R14PTGESACACB
SCHEMBL4562616 0.74 LMNA (0.39) NR3C1PTGESDAGLAMMP8MMP3
SCHEMBL4377727 0.73 MMP2 (0.59) KEAP1LMNATSHRMMP2MMP9
SCHEMBL6757292 0.73 PTGES (0.42) NR3C1PTGESDAGLAMMP8MMP3
SCHEMBL4374490 0.73 DPP4 (0.39) ALOX5MMP13
SCHEMBL3870207 0.71 MMP2 (0.61) MMP3MMP1MMP2MMP9MMP13
SCHEMBL6724678 0.71 MMP2 (0.52) MMP3LMNAHTTMMP1MMP2
SCHEMBL4375791 0.70 MMP2 (0.42) PTGESMMP8MMP3LMNAHTT
SCHEMBL515521 0.70 SLC7A5 (0.70)

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