SCHEMBL6519209

SCHEMBL6519209

Cc1ccc(S(=O)(=O)O)cc1CCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
TRPV4 Q9HBA0 1/20 0.34
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
PDK2 Q15119 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
F2 P00734 2/20 0.32
GLS O94925 1/20 0.32
MMP13 P45452 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
STAT5B P51692 1/20 0.31
NQO2 P16083 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6510616 0.82 CTSK (0.32) BCHEACHE
SCHEMBL7986714 0.81 HDAC1 (0.41) CA1CA2CA12STAT5BL3MBTL1
SCHEMBL7972044 0.81 HDAC1 (0.41) CA1CA2CA12STAT5BL3MBTL1
SCHEMBL6519214 0.81 METAP2 (0.39) METAP2TRPV4PDK2BCHEACHE
SCHEMBL29059938 0.81 METAP2 (0.35) METAP2TRPV4PDK2F2GLS
SCHEMBL3244228 0.79 CA1 (0.54) CA1CA2CA12CA9NQO2
SCHEMBL2587707 0.79 CA1 (0.54) CA1CA2CA12CA9NQO2
SCHEMBL644416 0.76 CA12 (0.40) CA2CA12CA9
SCHEMBL6130696 0.76 CA12 (0.32) CA1CA2CA12CA9L3MBTL1
SCHEMBL10598218 0.75 SNCA (0.39) CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-6172045-B1 COMPLEX CONTAINING 1-DESOXY-1-THIO-N-ACETYLGALACTOSAMINE NEORX CORPORATION 2001-01-09 US disclosed
WO-1997046098-A9 CLUSTER CLEARING AGENTS 1998-08-06 WO disclosed