SCHEMBL5159808

SCHEMBL5159808

COc1ccc(S(=O)(=O)C(C)(Cc2ccc(OCCN3CCCCC3)cc2)C(N)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.79
MMP9 P14780 13/20 0.79
MMP13 P45452 13/20 0.79
LTA4H P09960 1/20 0.54
ADAM17 P78536 3/20 0.54
HRH3 Q9Y5N1 4/20 0.53
KCNH2 Q12809 2/20 0.53
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48

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
SCHEMBL6934592 0.92 MMP1 (0.79) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL5160292 0.91 MMP1 (0.81) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL6933054 0.91 MMP1 (0.81) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL6932292 0.90 MMP1 (0.65) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL6932117 0.89 MMP1 (1.00) MMP1MMP9MMP13ADAM17
SCHEMBL6928537 0.89 MMP1 (1.00) MMP1MMP9MMP13ADAM17
SCHEMBL5157944 0.88 MMP1 (0.75) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL6929947 0.88 MMP1 (0.75) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL6934963 0.83 MMP1 (0.72) MMP1MMP9MMP13LTA4HADAM17
SCHEMBL6933135 0.83 MMP1 (0.81) MMP1MMP9MMP13LTA4HADAM17

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1777214-A2 Novel aryloxy-alkyl-dialkylamines Wyeth (US) 2007-04-25 EP disclosed
EP-1025077-B1 NOVEL ARYLOXY-ALKYL-DIALKYLAMINES WYETH CORP (US) 2007-02-28 EP disclosed
US-6268504-B1 USED IN THE PRODUCTION OF PHARMACEUTICAL PRODUCTS AMERICAN HOME PRODUCTS CORPORATION 2001-07-31 US disclosed
US-6242605-B1 Aryloxy-alkyl-dialkylamines AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 US disclosed