SCHEMBL5665262

SCHEMBL5665262

COC(OC)C(Cl)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TP53 P04637 1/20 0.52
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
LMNA P02545 4/20 0.45
F2 P00734 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5665678 0.83 TSHR (0.57) TSHRTP53PDCD1CD274LMNA
SCHEMBL1965622 0.81 TSHR (0.55) TSHRTP53PDCD1CD274LMNA
SCHEMBL9446034 0.81 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL16809098 0.80 TSHR (0.53) TSHRTP53PDCD1CD274LMNA
SCHEMBL5664140 0.79 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL1594032 0.77 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL5672629 0.77 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL27610990 0.77 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL783996 0.77 TSHR (0.59) TSHRTP53PDCD1CD274LMNA
SCHEMBL5665484 0.77 KMT2A (0.53) TSHRTP53LMNAF2NPC1

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