SCHEMBL7218829

SCHEMBL7218829

CC(=O)OCCOCn1c(-c2ccccc2)c(C)c(=O)[nH]c1=S

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 10/20 0.38
SIRT1 Q96EB6 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SLC18A3 Q16572 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL7218825 0.90 ALDH1A1 (0.39) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL5572945 0.86 UPP1 (0.41) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL7219922 0.84 ALDH1A1 (0.46) SIRT2SIRT1ALDH1A1NPSR1RXFP1
SCHEMBL9353904 0.80 DUT (0.47) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL7213309 0.76 KDM4E (0.40) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL7218805 0.74 SIRT2 (0.44) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL7213452 0.74 ALDH1A1 (0.37) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL8760250 0.74 SIRT2 (0.47) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL9353989 0.73 UPP1 (0.42) SIRT2SIRT1TDP1ALDH1A1NPSR1
SCHEMBL7219572 0.72 ALDH1A1 (0.39) ALDH1A1NPSR1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3279366-A None JP disclosed
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
JP-H03279366-A 6-SUBSTITUTED ACYCLOPYRIMIDINE NUCLEOSIDE DERIVATIVE AND ANTIVIRAL AGENT CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUBISHI KASEI CORP 1991-12-10 JP disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed