SCHEMBL7622787

SCHEMBL7622787

CCOCCCc1n[c]c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7615536 0.97 HRH3 (0.34) HRH3
SCHEMBL7614190 0.95 HRH3 (0.31) HRH3KDM4EPOLBTHRBTDP1
SCHEMBL7616317 0.92 HRH3 (0.33) HRH3
SCHEMBL7622391 0.83 HRH3 (0.31) HRH3
SCHEMBL11470650 0.77 ALDH1A1 (0.42)
SCHEMBL7621907 0.76
SCHEMBL31366376 0.74 TBXAS1 (0.46)
SCHEMBL7613936 0.73 CYP3A4 (0.45) TDP1
SCHEMBL7621113 0.73 CYP4F2 (0.47) TDP1
SCHEMBL7624059 0.70 HRH3 (0.37) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed