SCHEMBL10507002

SCHEMBL10507002

C=CC(O)(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 2/20 0.50
CA1 P00915 4/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 3/20 0.38
TEAD3 Q99594 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL18680966 0.79 KDM4E (0.49) POLBKDM4ETSHRCA1CA2
SCHEMBL6472344 0.78 TSHR (0.50) POLBKDM4ETSHRCA1CA2
SCHEMBL9073570 0.76 TSHR (0.58) POLBKDM4ETSHRCA1CA2
SCHEMBL8592890 0.75 KDM4E (0.53) POLBKDM4ETSHRCA1CA2
SCHEMBL18712396 0.75 KDM4E (0.56) POLBKDM4ETSHRCA1CA2
SCHEMBL95926 0.75 KDM4E (0.56) POLBKDM4ETSHRCA1CA2
SCHEMBL13557891 0.75 KDM4E (0.56) POLBKDM4ETSHRCA1CA2
SCHEMBL11277660 0.74 CYP2C9 (0.50) TSHRALDH1A1IDO1LMNACYP1A2
SCHEMBL23273064 0.74 TSHR (0.45) POLBKDM4ETSHRCA1CA2
SCHEMBL11146323 0.73 TSHR (0.67) POLBKDM4ETSHRCA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0165289-B1 NOVEL DERIVATIVES OF GUANINE Medivir Aktiebolag (SE) 1989-04-05 EP disclosed
US-4798833-A VIRICIDES ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1989-01-17 US disclosed
EP-0165289-A1 NOVEL DERIVATIVES OF GUANINE. ASTRA LAEKEMEDEL AB (SE) 1985-12-27 EP disclosed
WO-1985002845-A1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1985-07-04 WO disclosed
EP-0146516-A2 Derivatives of Guanine, process for their preparation and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-06-26 EP disclosed