SCHEMBL5821157

SCHEMBL5821157

O=C1CCCCCCCCCCCCC2=C1O2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8899778 0.92
SCHEMBL9546364 0.80
SCHEMBL2944823 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL868288 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL28579421 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL2493977 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL10391044 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL2322944 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL1552637 0.69
SCHEMBL9576029 0.69 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33SMN1; SMN2

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
WO-2006071958-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed
JP-2006117585-A NEW FRAGRANT MATERIAL AND UTILIZATION THEREOF TOYOTAMA KORYO KK 2006-05-11 JP disclosed