SCHEMBL7611074

SCHEMBL7611074

CCc1c(CCC(=O)O)ccc(CCC(=O)O)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.47
KEAP1 Q14145 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
FFAR1 O14842 6/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 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
SCHEMBL7442078 0.94 NPSR1 (0.47) NPSR1POLBKEAP1L3MBTL1FFAR1
SCHEMBL14370248 0.91 NPSR1 (0.44) NPSR1POLBKEAP1L3MBTL1FFAR1
SCHEMBL11321964 0.83 NPSR1 (0.39) NPSR1POLBKEAP1L3MBTL1FFAR1
SCHEMBL1607606 0.81 IAPP (0.50) NPSR1POLBFFAR1PTGER1PTGER4
SCHEMBL1262379 0.80 MEN1 (0.46) NPSR1KEAP1FFAR1SMN1; SMN2FFAR4
SCHEMBL11581221 0.79 NPSR1 (0.48) NPSR1POLBKEAP1L3MBTL1FFAR1
SCHEMBL9786032 0.79 AOC3 (0.42) NPSR1POLBFFAR1MAPK1HSD17B10
SCHEMBL878984 0.78 KEAP1 (0.56) NPSR1KEAP1FFAR1HDAC3MAPK1
SCHEMBL14409075 0.78 LTB4R (0.38) NPSR1POLBKEAP1L3MBTL1FFAR1
SCHEMBL27829688 0.77 KEAP1 (0.48) NPSR1KEAP1FFAR1PTGER1PTGER4

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
EP-1223166-A1 Linked cyclic polyamines with activity against hiv. AnorMED Inc. (CA) 2002-07-17 EP disclosed