SCHEMBL7616683

SCHEMBL7616683

CC(C)OC(=O)CCCCCCc1n[c]c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
TBXAS1 P24557 2/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
MAPT P10636 3/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
MGLL Q99685 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MIF P14174 1/20 0.32

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
SCHEMBL7618333 1.00 LMNA (0.47) LMNATBXAS1ALDH1A1GAAHSD17B10
SCHEMBL7623134 0.99 LMNA (0.45) LMNATBXAS1ALDH1A1GAAHSD17B10
SCHEMBL7620248 0.84 HPGD (0.43) LMNATBXAS1ALDH1A1HPGDPDE3B
SCHEMBL7623365 0.82 TSHR (0.42) LMNATBXAS1ALDH1A1HSD17B10HPGD
SCHEMBL7623376 0.82 CYP4F2 (0.46) TBXAS1ALDH1A1HSD17B10MAPTALOX15
SCHEMBL7621113 0.80 CYP4F2 (0.47) TBXAS1ALDH1A1HSD17B10MAPTALOX15
SCHEMBL4873532 0.80 TSHR (0.42) LMNATBXAS1ALDH1A1HSD17B10HPGD
SCHEMBL7623156 0.78 MEN1 (0.47) TBXAS1ALDH1A1GAAHSD17B10KDM4E
SCHEMBL7621282 0.78 TBXAS1 (0.38) TBXAS1
SCHEMBL7622667 0.78 MEN1 (0.47) TBXAS1ALDH1A1GAAHSD17B10KDM4E

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