SCHEMBL9826466

SCHEMBL9826466

CC(=O)Cc1ccc(OCCCCCCO)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
PLA2G4B P0C869 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
PDE4A P27815 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
PTPN11 Q06124 1/20 0.44

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
SCHEMBL10934516 1.00 GAA (0.54) GAAL3MBTL1POLBPLA2G4BKDM4E
SCHEMBL9826297 0.93 POLB (0.54) GAAL3MBTL1POLBPLA2G4BKDM4E
SCHEMBL7153441 0.88 POLB (0.56) GAAL3MBTL1POLBPLA2G4BKDM4E
SCHEMBL9630085 0.85 GAA (0.57) GAAL3MBTL1POLBPLA2G4BKDM4E
Ethylene SCHEMBL10898008 0.85 POLB (0.53) GAAL3MBTL1POLBPLA2G4BKDM4E
SCHEMBL8347541 0.84 KDM4E (0.68) POLBPLA2G4BKDM4ECYP1A2CYP2D6
SCHEMBL1376135 0.83 POLB (0.54) GAAL3MBTL1POLBPLA2G4BKDM4E
SCHEMBL2628204 0.83 ALDH1A1 (0.58) GAAL3MBTL1POLBKDM4ECYP1A2
SCHEMBL2628192 0.83 ALDH1A1 (0.58) GAAL3MBTL1POLBKDM4ECYP1A2
SCHEMBL11150154 0.83 L3MBTL1 (0.59) GAAL3MBTL1POLBPLA2G4BKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed
EP-0052963-B1 SECONDARY AMINES BEECHAM GROUP PLC (GB) 1985-02-20 EP disclosed
US-4382958-A Secondary amines and compositions for treatment of hypoglycaemia or obesity BEECHAM GROUP LIMITED (GB) 1983-05-10 US disclosed
EP-0052963-A1 Secondary amines BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed