SCHEMBL7621773

SCHEMBL7621773

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.61
F13A1 P00488 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SCD O00767 1/20 0.39

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
SCHEMBL7614088 1.00 TBXAS1 (0.61) TBXAS1F13A1MAPTRXFP1LMNA
SCHEMBL7623524 0.98 TBXAS1 (0.58) TBXAS1F13A1MAPTRXFP1LMNA
SCHEMBL7616768 0.95 TBXAS1 (0.54) TBXAS1F13A1MAPTRXFP1LMNA
SCHEMBL7617937 0.87 TBXAS1 (0.45) TBXAS1MAPTRXFP1
SCHEMBL7625592 0.86 TBXAS1 (0.45) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7620248 0.81 HPGD (0.43) TBXAS1MAPTLMNATSHR
SCHEMBL7618079 0.81 TBXAS1 (0.41) TBXAS1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7623365 0.79 TSHR (0.42) TBXAS1MAPTLMNATSHR
SCHEMBL7623376 0.79 CYP4F2 (0.46) TBXAS1MAPTTSHR
SCHEMBL7623156 0.77 MEN1 (0.47) TBXAS1HDAC3HDAC4HDAC1HDAC7

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