SCHEMBL7616487

SCHEMBL7616487

CCCOC(=O)CCc1n[c]c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
DGKA P23743 1/20 0.41
MAPT P10636 1/20 0.37
GLA P06280 1/20 0.36
TOP2A P11388 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MIF P14174 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
DNM1 Q05193 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
SCHEMBL7617346 0.85 ALDH1A1 (0.36) ALDH1A1DGKAGLATOP2ATDP1
SCHEMBL7621113 0.79 CYP4F2 (0.47) ALDH1A1DGKAMAPTTDP1MEN1
SCHEMBL7613936 0.79 CYP3A4 (0.45) ALDH1A1DGKAMAPTTDP1
SCHEMBL7623376 0.78 CYP4F2 (0.46) ALDH1A1DGKAMAPTTDP1MEN1
SCHEMBL25427885 0.78 ALDH1A1 (0.42) ALDH1A1DGKAMAPTGLATOP2A
SCHEMBL7623134 0.70 LMNA (0.45) ALDH1A1MAPTKDM4EMIFGAA
SCHEMBL7618333 0.69 LMNA (0.47) ALDH1A1MAPTKDM4EMIFGAA
SCHEMBL33810 0.67 DGKA (0.74) ALDH1A1DGKAMAPTTDP1KDM4E
SCHEMBL7621773 0.67 TBXAS1 (0.61) MAPT
SCHEMBL7614088 0.67 TBXAS1 (0.61) MAPT

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