SCHEMBL6608416

SCHEMBL6608416

COc1ccc([C@@H](CSCc2cnc3ccsc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ADORA2A P29274 1/20 0.32
DYRK1A Q13627 1/20 0.31
NR3C1 P04150 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6605212 0.91 PPARG (0.32) PPARGPPARA
SCHEMBL6607189 0.88 PPARG (0.33) PPARGPPARADYRK1ANR3C1GAA
SCHEMBL6605583 0.86 TRPM8 (0.40) PPARGPPARAKDM4EKMT2ASMN1; SMN2
SCHEMBL6400585 0.83 TRPM8 (0.38) PPARGPPARATRPM8
SCHEMBL6606805 0.78 MASP2 (0.33) PPARGPPARA
SCHEMBL6400042 0.78 ADORA2A (0.36) ADORA2ANR3C1GPR139GAAMAPT
SCHEMBL6609993 0.78 SCN9A (0.35) PPARGPPARAMEN1KMT2ATRPM8
SCHEMBL6403984 0.76 MMP13 (0.30)
SCHEMBL6604993 0.74 MEN1 (0.31) DYRK1AMEN1NPC1TP53RAB9A
SCHEMBL6605211 0.71 TRPM8 (0.39) MAPTKDM4EMEN1TP53KMT2A

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