SCHEMBL4732400

SCHEMBL4732400

CCCCCCCCCCCCC(=O)NS(=O)(=O)CCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
FAAH O00519 6/20 0.52
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 1/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
GPR84 Q9NQS5 2/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4731984 1.00 HSP90AA1 (0.53) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL4732709 1.00 HSP90AA1 (0.53) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL14166663 0.96 HSP90AA1 (0.48) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL8292801 0.96 HSP90AA1 (0.53) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL8292803 0.96 HSP90AA1 (0.53) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL16076994 0.93 HSP90AA1 (0.47) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL765884 0.92 HSP90AA1 (0.46) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL10170685 0.92 HSP90AA1 (0.46) HSP90AA1FAAHMEN1MAPK1KMT2A
SCHEMBL19049760 0.90 GPR84 (0.57) MEN1KMT2AEPHX2GPR84PPARG
SCHEMBL1519481 0.90 GPR84 (0.57) MEN1KMT2AEPHX2GPR84PPARG

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
WO-2008044033-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2008-04-17 WO disclosed