SCHEMBL6828690

SCHEMBL6828690

CC1CCCN(c2ccccc2C(=O)OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 4/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CSF1R P07333 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 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
SCHEMBL6825888 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTGAAMAPK1
SCHEMBL15630869 0.83 GAA (0.53) ALDH1A1SMN1; SMN2MAPTHTTGAA
SCHEMBL30872533 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAMAPK1RAB9A
SCHEMBL6828581 0.81 GAA (0.56) ALDH1A1SMN1; SMN2MAPTHTTGAA
SCHEMBL6826056 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1RAB9AHPGD
SCHEMBL2069693 0.80 GABRA1 (0.48) ALDH1A1SMN1; SMN2MAPTHTTKDM4E
SCHEMBL3076822 0.77 GAA (0.70) ALDH1A1SMN1; SMN2MAPTHTTGAA
SCHEMBL30872535 0.75 ALDH1A1 (0.57) ALDH1A1MAPK1RAB9ATDP1TSHR
SCHEMBL2787104 0.75 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2MAPTHTTGAA
SCHEMBL15841156 0.75 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2MAPTHTTGAA

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed