SCHEMBL4753032

SCHEMBL4753032

C#CC(C)(C)NS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.47
PROKR1 Q8TCW9 6/20 0.47
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
HRH1 P35367 3/20 0.45
CCR3 P51677 3/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACLY P53396 1/20 0.42
KCNH2 Q12809 2/20 0.40
EPHX2 P34913 3/20 0.39
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TRPV4 Q9HBA0 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
SCHEMBL8096418 0.80 FPR2 (0.46) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL4757515 0.77 MEN1 (0.51) MAPT
SCHEMBL4752287 0.76 FPR2 (0.48) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL8286689 0.76 ACLY (0.45) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL5020187 0.76 FPR2 (0.49) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL4752293 0.75 FPR2 (0.57) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL4673429 0.73 FPR2 (0.50) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL4673324 0.70 MMP1 (0.59) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL4673329 0.70 MMP1 (0.59) FPR2PROKR1MMP12MMP13HRH1
SCHEMBL4673327 0.70 MMP1 (0.59) FPR2PROKR1MMP12MMP13HRH1

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
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 WO disclosed