SCHEMBL8577016

SCHEMBL8577016

[CH2]c1c(C(C)=O)cccc1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
PBRM1 Q86U86 1/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
BRPF1 P55201 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
PDK2 Q15119 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL28824680 0.78 TSHR (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL279655 0.77 ALDH1A1 (0.53) PBRM1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1821844 0.77 PBRM1 (0.45) PBRM1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1574451 0.77 THRB (0.41) THRBPBRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1683823 0.77 THRB (0.46) THRBPBRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7119411 0.76 KDM4E (0.55) THRBPBRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL38573232 0.76 KDM4E (0.55) THRBPBRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7301325 0.76 ALDH1A1 (0.45) THRBPBRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7301332 0.76 THRB (0.50) THRBPBRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8480383 0.76 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDTSHR

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