SCHEMBL8760732

SCHEMBL8760732

CC(C)c1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.46
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
PNP P00491 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8760934 0.89 UPP1 (0.37) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL8760050 0.86 UPP1 (0.35) UPP1PNP
Hept SCHEMBL384288 0.85 UPP1 (0.48) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9354034 0.84 UPP1 (0.46) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9353985 0.84 UPP1 (0.49) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL8760090 0.83 UPP1 (0.49) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9353745 0.83 UPP1 (0.48) UPP1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL9357336 0.81 UPP1 (0.58) UPP1ALDH1A1CYP2C9CYP2C19
SCHEMBL8760742 0.81 UPP1 (0.48) UPP1ALDH1A1POLBHPGDPNP
SCHEMBL9354063 0.81 UPP1 (0.44) UPP1ALDH1A1TSHRMAPK1NPSR1

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 8 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
JP-3284624-A None JP disclosed
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
JP-H03284624-A ANTIVIRAL AGENT MITSUBISHI KASEI CORP 1991-12-16 JP 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