SCHEMBL8579530

SCHEMBL8579530

O=C(O)c1ccc(C(=O)O)c([CH]c2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MYC P01106 1/20 0.46
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA4 P22748 3/20 0.45
▸ CA6 P23280 3/20 0.45
▸ CA7 P43166 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CA14 Q9ULX7 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ ACE2 Q9BYF1 2/20 0.43
▸ CDC25A P30304 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
SCHEMBL30253662 0.85 ERN1 (0.49) KDM4ETSHRTP53MYCCA12
SCHEMBL1302677 0.85 ERN1 (0.49) KDM4ETSHRTP53MYCCA12
Hydrochloric Acid SCHEMBL7539954 0.83 ERN1 (0.47) KDM4ETSHRTP53MYCCA12
SCHEMBL29598455 0.83 KDM4E (0.47) KDM4ETSHRTP53MYCCA12
SCHEMBL605638 0.83 KDM4E (0.47) KDM4ETSHRTP53MYCCA12
SCHEMBL25282099 0.83 KDM4E (0.47) KDM4ETSHRTP53MYCCA12
Lithium SCHEMBL31456603 0.82 KDM4E (0.46) KDM4ETSHRTP53MYCCA12
Ethylene Glycol SCHEMBL27849971 0.81 KDM4E (0.42) KDM4ETSHRTP53MYCCA12
SCHEMBL6269466 0.80 MYC (0.45) KDM4ETSHRTP53MYCCA12
SCHEMBL6269470 0.80 MYC (0.45) KDM4ETSHRTP53MYCCA12

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
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