SCHEMBL8580946

SCHEMBL8580946

[CH2]c1ccc2ccccc2c1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
MAOB P27338 1/20 0.41
WDR5 P61964 1/20 0.40

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
SCHEMBL426582 0.78 ABCG2 (0.54) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL975681 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL7300345 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL4835012 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL30714893 0.78 ABCG2 (0.54) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL16869403 0.78 NCEH1 (0.53) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL23391023 0.77 NCEH1 (0.51) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL1392829 0.77 NCEH1 (0.51) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL6619314 0.77 NCEH1 (0.51) NCEH1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL2424747 0.77 NCEH1 (0.51) NCEH1ALDH1A1HPGDMAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed