SCHEMBL8522000

SCHEMBL8522000

C=Cc1ccc(COc2ccc(CSC(CC)(SCc3ccccc3)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
PPARA Q07869 1/20 0.51
NR1H4 Q96RI1 1/20 0.46
GSK3B P49841 2/20 0.45
BACE1 P56817 2/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 2/20 0.43
PARP10 Q53GL7 1/20 0.43
ALOX5 P09917 2/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42

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
SCHEMBL8522006 0.78 TEAD3 (0.37) PPARGPPARAGSK3BBACE1MAOB
SCHEMBL763259 0.76 LMNA (0.60) PPARGGSK3BBACE1MAPTKDM4E
SCHEMBL8435237 0.75 CHRNB2 (0.43) PPARGPPARANR1H4GSK3BBACE1
SCHEMBL8522004 0.73 FFAR1 (0.51) GSK3BBACE1ALOX5FFAR1FFAR4
SCHEMBL2516876 0.73 APP (0.58) GSK3BBACE1MAPTMEN1KMT2A
SCHEMBL9331841 0.73 ALDH1A1 (0.68) PPARGGSK3BBACE1MAPTKMT2A
SCHEMBL8435239 0.73 CYP2C19 (0.44) PPARGPPARANR1H4GSK3BBACE1
SCHEMBL1480744 0.72 LMNA (0.55) GSK3BBACE1MAPTKDM4EMEN1
SCHEMBL8435236 0.72 CYP2C19 (0.50) PPARGPPARAGSK3BBACE1MAPT
SCHEMBL6388039 0.71 APP (0.54) MAOBALDH1A1SMN1; SMN2

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
US-5888723-A SENSITIVE HYBRIDIZATION ASSAY USING NUCLEIC ACID REAGENT COMPOSED OF OLIGONUCLEOTIDES COVALENTLY ATTACHED TO POLYMER PARTICLES WHICH ARE ADHERED TO SUPPORT USING WATER INSOLUBLE ADHESIVE; LOW BACKGROUND JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1999-03-30 US disclosed