SCHEMBL7697296

SCHEMBL7697296

CC(C)(C)OC(=O)CCCCCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.50
LMNA P02545 3/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLG P00747 1/20 0.46
ALOX15 P16050 1/20 0.46
SLC6A2 P23975 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP1A2 P05177 2/20 0.45
EPHX2 P34913 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL22834112 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL7342998 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL3661993 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL3365775 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL10382831 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL1952053 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL931564 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
SCHEMBL21611683 1.00 PAOX (0.50) PAOXLMNATHRBKMT2AMEN1
Hydrochloric Acid SCHEMBL23045095 0.98 PAOX (0.48) PAOXLMNATHRBKMT2AMEN1
Bromide SCHEMBL28930592 0.98 PAOX (0.48) PAOXLMNATHRBKMT2AMEN1

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-6461587-B1 Perfluoroalkylamides, their production and their use in diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed