SCHEMBL8760930

SCHEMBL8760930

CCc1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL8760223 0.89 HTT (0.33) UPP1HTT
SCHEMBL8760134 0.88 UPP1 (0.38) UPP1
SCHEMBL8760090 0.85 UPP1 (0.49) UPP1
SCHEMBL8760050 0.83 UPP1 (0.35) UPP1MEN1KMT2ATDP1HTT
SCHEMBL7758840 0.83 ALDH1A1 (0.51) UPP1MEN1KMT2AHTT
SCHEMBL6087421 0.79 SMN1; SMN2 (0.37) MEN1KMT2ATDP1HTT
SCHEMBL7758302 0.79 SMN1; SMN2 (0.33) MEN1KMT2ATDP1
SCHEMBL7758304 0.79 SMN1; SMN2 (0.33) MEN1KMT2ATDP1
SCHEMBL8392462 0.79 UPP1 (0.39) UPP1MEN1KMT2ATDP1HTT
SCHEMBL5199239 0.79 UPP1 (0.44) UPP1HTT

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