SCHEMBL6607189

SCHEMBL6607189

COc1ccc([C@@H](CSCc2cnc3sccc3c2)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DYRK1A Q13627 1/20 0.31
NR3C1 P04150 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
SCHEMBL6606805 0.91 MASP2 (0.33) PPARGPPARA
SCHEMBL6608416 0.88 PPARG (0.34) PPARGPPARAMEN1NPC1TP53
SCHEMBL6604993 0.86 MEN1 (0.31) MEN1NPC1TP53RAB9AKMT2A
SCHEMBL6605583 0.85 TRPM8 (0.40) PPARGPPARAKMT2ASMN1; SMN2
SCHEMBL6400585 0.83 TRPM8 (0.38) PPARGPPARA
SCHEMBL6398852 0.79 AOC3 (0.35) PPARGPPARAMEN1NPC1TP53
SCHEMBL6605212 0.78 PPARG (0.32) PPARGPPARA
SCHEMBL6609993 0.77 SCN9A (0.35) PPARGPPARAMEN1KMT2A
SCHEMBL6399472 0.76 MASP2 (0.33)
SCHEMBL6431116 0.71 TRPM8 (0.39) MEN1TP53KMT2ASMN1; SMN2MAPT

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