SCHEMBL7860487

SCHEMBL7860487

NC(C(=O)O)c1ccc(C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
KIF11 P52732 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HAO1 Q9UJM8 1/20 0.44
ACMSD Q8TDX5 2/20 0.44
TDP1 Q9NUW8 5/20 0.43
HSD17B10 Q99714 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
GRM4 Q14833 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
SCHEMBL11468007 0.79 APP (0.64) APPHDAC1HDAC8HDAC6KMT2A
SCHEMBL4310746 0.79 APP (0.50) APPKIF11HDAC1HDAC8HDAC6
SCHEMBL13527786 0.78 HSD17B10 (0.61) TDP1HSD17B10KMT2AMEN1CYP2C9
Hexaprofen SCHEMBL2111016 0.77 APP (0.67) APPHAO1KMT2ACYP2C9HTT
SCHEMBL27752440 0.77 APP (0.52) APPKIF11HDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL9222908 0.76 APP (0.48) APPKIF11HDAC1HDAC8HDAC6
SCHEMBL11833494 0.75 APP (0.50) APPKIF11HDAC1HDAC8HDAC6
SCHEMBL3162884 0.75 SLC7A5 (0.57) KIF11TDP1HSD17B10KMT2AMEN1
SCHEMBL5803409 0.75 APP (0.53) APPKIF11HDAC1HDAC8HDAC6
SCHEMBL11841041 0.75 APP (0.50) APPKIF11HDAC1HDAC8HDAC6

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-2010130007-A1 ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2010-11-18 WO disclosed