SCHEMBL8579359

SCHEMBL8579359

[CH2]Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TSHR P16473 3/20 0.44
TP53 P04637 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA6 P23280 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PTGS2 P35354 1/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 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
SCHEMBL7854748 0.86 KDM4E (0.48) KDM4ETSHRTP53CA12CA1
SCHEMBL9670835 0.85 KDM4E (0.44) KDM4ETSHRTP53CA12CA1
SCHEMBL9671387 0.82 KDM4E (0.42) KDM4ETSHRTP53CA12CA1
SCHEMBL8482484 0.82 KDM4E (0.48) KDM4ETSHRTP53CA12CA1
SCHEMBL8482490 0.82 ACE2 (0.50) KDM4ETSHRTP53CA12CA1
SCHEMBL1355542 0.82 ALDH1A1 (0.52) KDM4ETSHRTP53CA12CA1
SCHEMBL6449728 0.81 KDM4E (0.44) KDM4ETSHRTP53CA12CA1
SCHEMBL27292206 0.80 KDM4E (0.47) KDM4ETSHRTP53CA12CA1
SCHEMBL2818924 0.80 KDM4E (0.47) KDM4ETSHRTP53CA12CA1
SCHEMBL27289075 0.80 KDM4E (0.47) KDM4ETSHRTP53CA12CA1

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 6 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
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed