SCHEMBL6605583

SCHEMBL6605583

COc1ccc([C@@H](CSCc2cnc3ccccc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
FAAH O00519 3/20 0.39
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CNR2 P34972 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
PPARD Q03181 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
PAX8 Q06710 1/20 0.33
ALOX5AP P20292 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALPL P05186 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
IGF1R P08069 1/20 0.32
HPGDS O60760 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6400585 0.97 TRPM8 (0.38) TRPM8FAAHPPARGPPARACNR2
SCHEMBL6609993 0.92 SCN9A (0.35) TRPM8PPARGPPARAHIF1AEPAS1
SCHEMBL6608416 0.86 PPARG (0.34) TRPM8PPARGPPARASMN1; SMN2KDM4E
SCHEMBL6431116 0.85 TRPM8 (0.39) TRPM8FAAHCNR2HIF1AEPAS1
SCHEMBL6607189 0.85 PPARG (0.33) PPARGPPARASMN1; SMN2KMT2A
SCHEMBL6605219 0.85 TRPM8 (0.39) TRPM8FAAHCNR2HIF1AEPAS1
SCHEMBL6605211 0.85 TRPM8 (0.39) TRPM8FAAHCNR2HIF1AEPAS1
SCHEMBL6429249 0.82 TRPM8 (0.37) TRPM8FAAHCNR2HIF1AEPAS1
SCHEMBL6403790 0.81 TRPM8 (0.36) TRPM8FAAHCNR2HIF1AEPAS1
SCHEMBL6605212 0.80 PPARG (0.32) PPARGPPARAPPARD

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-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed