SCHEMBL13447348

SCHEMBL13447348

CCC(C)[C@@H](C)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
POLB P06746 1/20 0.46
SCN1A P35498 1/20 0.46

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
SCHEMBL16225017 1.00 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL1784819 0.88 TSHR (0.47) TSHRTP53PDCD1CD274LMNA
SCHEMBL30472836 0.87 TSHR (0.53) TSHRTP53PDCD1CD274LMNA
SCHEMBL29580263 0.86 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL29016097 0.86 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL14690420 0.86 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL569009 0.86 TSHR (0.52) TSHRTP53PDCD1CD274LMNA
SCHEMBL10239104 0.85 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL13700339 0.85 TSHR (0.63) TSHRTP53PDCD1CD274LMNA
SCHEMBL29311500 0.85 TSHR (0.63) TSHRTP53PDCD1CD274LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010033240-A2 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2010-03-25 WO disclosed