SCHEMBL8760096

SCHEMBL8760096

CCc1c(C(O)c2ccccc2)n(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.48
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.35
DUT P33316 1/20 0.35

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
SCHEMBL5200095 0.78 UPP1 (0.60) UPP1ALDH1A1
SCHEMBL8760090 0.76 UPP1 (0.49) UPP1ALDH1A1TSHR
SCHEMBL8429654 0.76 UPP1 (0.49) UPP1ALDH1A1TSHR
SCHEMBL8760250 0.74 SIRT2 (0.47) UPP1ALDH1A1
SCHEMBL8760742 0.69 UPP1 (0.48) UPP1ALDH1A1
SCHEMBL7219933 0.68 UPP1 (0.59) UPP1ALDH1A1
SCHEMBL9266049 0.68 UPP1 (0.40) UPP1ALDH1A1TSHRDAO
SCHEMBL8426877 0.68 UPP1 (0.40) UPP1ALDH1A1
SCHEMBL8760255 0.68 UPP1 (0.40) UPP1
SCHEMBL5199239 0.67 UPP1 (0.44) UPP1

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
EP-0449726-B1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient MITSUBISHI CHEM CORP (JP) 1997-06-11 EP disclosed
US-5318972-A Active against retroviruses, human t-cell leukemia/lymphoma viruses MITSUBISHI KASEI CORPORATION (JP) 1994-06-07 US disclosed
EP-0449726-A1 Pyrimidine nucleoside derivative and antiviral agent containing the derivative as active ingredient Mitsubishi Chemical Corporation (JP) 1991-10-02 EP disclosed