SCHEMBL7611219

SCHEMBL7611219

CC(=O)N(C)C(C)Cc1ccc(CCCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SIGMAR1 Q99720 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 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
SCHEMBL11233737 0.96 HSD17B10 (0.54) ACACBHSD17B10MAPTRXFP1SIGMAR1
SCHEMBL7609058 0.83 PDE4B (0.48) ACACBHSD17B10MAPTSIGMAR1SMN1; SMN2
SCHEMBL8471831 0.83 PDE4B (0.48) ACACBHSD17B10MAPTSIGMAR1SMN1; SMN2
SCHEMBL14819227 0.82 HSD17B10 (0.54) HSD17B10MAPTRXFP1SIGMAR1SMN1; SMN2
SCHEMBL8476620 0.82 MAPT (0.42) HSD17B10MAPTRXFP1SIGMAR1SMN1; SMN2
SCHEMBL7603010 0.82 MAPT (0.42) HSD17B10MAPTRXFP1SIGMAR1SMN1; SMN2
SCHEMBL11239470 0.80 USP5 (0.53) ACACBHSD17B10MAPTSIGMAR1SMN1; SMN2
SCHEMBL8959741 0.80 MAPT (0.59) HSD17B10MAPTRXFP1SMN1; SMN2HDAC3
SCHEMBL11237800 0.80 HSD17B10 (0.46) HSD17B10MAPTRXFP1SIGMAR1SMN1; SMN2
SCHEMBL764976 0.79 MAPT (0.62) HSD17B10MAPTRXFP1SMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820984-B1 Activated amphetamines ROCHE DIAGNOSTICS GMBH (DE) 2002-03-27 EP disclosed
EP-0820984-A1 Activated amphetamines Roche Diagnostics GmbH (DE) 1998-01-28 EP disclosed