SCHEMBL7621113

SCHEMBL7621113

CCOC(=O)CCCCc1n[c]c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS2 P35354 1/20 0.41
PDE4D Q08499 1/20 0.41
TBXAS1 P24557 2/20 0.41
CYP4Z1 Q86W10 1/20 0.40

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
SCHEMBL7623376 0.99 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1CYP3A4TDP1
SCHEMBL7613936 0.97 CYP3A4 (0.45) CYP4F2CYP4A11ALDH1A1CYP3A4TDP1
SCHEMBL7623365 0.85 TSHR (0.42) ALDH1A1TSHRHSD17B10SMN1; SMN2TBXAS1
SCHEMBL4873532 0.82 TSHR (0.42) ALDH1A1TSHRHSD17B10TBXAS1MAPT
SCHEMBL7623134 0.81 LMNA (0.45) ALDH1A1ALOX15TSHRHSD17B10TBXAS1
SCHEMBL7616683 0.80 LMNA (0.47) ALDH1A1ALOX15TSHRHSD17B10TBXAS1
SCHEMBL7618333 0.80 LMNA (0.47) ALDH1A1ALOX15TSHRHSD17B10TBXAS1
SCHEMBL7616487 0.79 ALDH1A1 (0.41) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9114807 0.78 TBXAS1 (0.64) CYP4F2CYP4A11ALDH1A1CYP3A4TDP1
SCHEMBL7623524 0.78 TBXAS1 (0.58) ALDH1A1TSHRCYP1A2CYP2C19TBXAS1

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