SCHEMBL8577971

SCHEMBL8577971

[CH2]Cc1c(C(=O)CCC)ccc(C(=O)CCC)c1C(=O)CCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B3 P37058 1/20 0.39
FASN P49327 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CYP2C19 P33261 1/20 0.32
STS P08842 1/20 0.32

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
SCHEMBL7305074 0.76 HPGD (0.46) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7305084 0.76 ALDH1A1 (0.50) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL28710582 0.69 ALDH1A1 (0.59) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7303631 0.69 ALDH1A1 (0.40) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7297577 0.68 ALDH1A1 (0.39) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL28429668 0.68 ALDH1A1 (0.42) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL28834964 0.67 FASN (0.39) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7299737 0.67 TSHR (0.38) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7307346 0.66 TSHR (0.37) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL28494378 0.64 ALDH1A1 (0.42) HPGDALDH1A1TSHRALOX15RECQL

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