SCHEMBL9670835

SCHEMBL9670835

[CH2]CCc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TSHR P16473 3/20 0.42
FOLH1 Q04609 1/20 0.42
PTPN1 P18031 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
PTGS2 P35354 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CDC25A P30304 1/20 0.38

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
SCHEMBL9671387 0.89 KDM4E (0.42) KDM4ETSHRFOLH1PTPN1POLB
SCHEMBL9670437 0.86 SLC16A3 (0.43) KDM4ETSHRFOLH1SLC16A3
SCHEMBL8579359 0.85 KDM4E (0.47) KDM4ETSHRPTPN1POLBL3MBTL1
SCHEMBL27792967 0.83 KDM4E (0.46) KDM4ETSHRFOLH1PTPN1POLB
SCHEMBL7109116 0.81 KDM4E (0.44) KDM4ETSHRFOLH1PTPN1POLB
SCHEMBL5051198 0.81 FOLH1 (0.65) KDM4ETSHRFOLH1PTPN1POLB
SCHEMBL1355580 0.81 RXRA (0.48) KDM4ETSHRFOLH1PTPN1GAA
SCHEMBL9170227 0.81 KDM4E (0.44) KDM4ETSHRFOLH1PTPN1POLB
SCHEMBL27848001 0.80 RARA (0.45) KDM4ETSHRFOLH1PTPN1POLB
Hydrogen Sulfide SCHEMBL27554346 0.80 L3MBTL1 (0.43) KDM4ETSHRFOLH1PTPN1POLB

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-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-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