SCHEMBL6707441

SCHEMBL6707441

NC(=O)CCC[CH]Oc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
OGG1 O15527 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HTR1B P28222 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 2/20 0.41
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL7279601 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL9439620 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL8029421 0.78 HTR1B (0.54) TDP1HTR1BGAAL3MBTL1
SCHEMBL7279604 0.78 HTR1B (0.65) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL6849540 0.77 HTR1B (0.63) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL7278827 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL6707308 0.76 TNF (0.46) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL2925774 0.75 HTR1B (0.62) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL7277556 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL7275540 0.75 HTR1B (0.63) ALDH1A1KDM4EHTR1BMEN1KMT2A

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
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed