SCHEMBL8326306

SCHEMBL8326306

CCOC(=O)CCCCOc1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
BRD4 O60885 1/20 0.50
MAPT P10636 1/20 0.50
PDK2 Q15119 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 1/20 0.46

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
SCHEMBL3170654 0.98 LTA4H (0.52) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL7045164 0.95 BRD4 (0.54) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL17266636 0.88 MAPT (0.52) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL16264850 0.87 MEN1 (0.60) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL8620576 0.86 LTA4H (0.54) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL14570538 0.86 MEN1 (0.59) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL19474670 0.84 LTA4H (0.53) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL5493279 0.84 LTA4H (0.53) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL7747836 0.84 NR5A1 (0.60) LTA4HCYSLTR2CYSLTR1BRD4MAPT
SCHEMBL15104736 0.84 NR5A1 (0.60) LTA4HCYSLTR2CYSLTR1BRD4MAPT

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed