SCHEMBL5664112

SCHEMBL5664112

CCOC(OCC)C(OC)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
F2 P00734 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 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
SCHEMBL9389619 0.92 TSHR (0.52) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL5665678 0.86 TSHR (0.57) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL5664421 0.83 ALDH1A1 (0.45) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL5664138 0.81 TSHR (0.47) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL16809098 0.80 TSHR (0.53) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL784519 0.80 TSHR (0.53) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL9166635 0.78 TSHR (0.52) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL9339524 0.77 TSHR (0.47) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL28391084 0.77 TSHR (0.50) TSHRTP53ALDH1A1LMNAPDCD1
SCHEMBL27420373 0.77 TSHR (0.50) TSHRTP53ALDH1A1LMNAPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP claimed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP claimed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO claimed