SCHEMBL6609993

SCHEMBL6609993

CC(C)(C)OC(=O)ON(C(=O)OC(C)(C)C)[C@H](CSCc1cnc2ccccc2c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
PAX8 Q06710 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
CFTR P13569 1/20 0.34
MMP1 P03956 1/20 0.34
FCER2 P06734 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PPARG P37231 3/20 0.33

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
SCHEMBL6605583 0.92 TRPM8 (0.40) PAX8HDAC4HDAC1TRPM8PPARG
SCHEMBL6400585 0.89 TRPM8 (0.38) PAX8HDAC4HDAC1MMP1FCER2
SCHEMBL6605212 0.87 PPARG (0.32) PPARGPPARAPPARD
SCHEMBL6606805 0.86 MASP2 (0.33) PPARGPPARAPPARD
SCHEMBL6402952 0.84 ACP1 (0.35) SCN9APAX8HDAC4HDAC1CFTR
SCHEMBL6402948 0.84 ACP1 (0.35) SCN9APAX8HDAC4HDAC1CFTR
SCHEMBL6429732 0.84 ACP1 (0.35) SCN9APAX8HDAC4HDAC1CFTR
SCHEMBL6608416 0.78 PPARG (0.34) TRPM8PPARGPPARAMEN1KMT2A
SCHEMBL6431116 0.77 TRPM8 (0.39) PAX8HDAC4HDAC1MMP1MMP9
SCHEMBL6605219 0.77 TRPM8 (0.39) PAX8HDAC4HDAC1MMP1MMP9

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
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed