SCHEMBL1249527

SCHEMBL1249527

C=CC(=O)OCCOOC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.58
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 8/20 0.46
ALDH1A1 P00352 5/20 0.46
HIF1A Q16665 3/20 0.46
TP53 P04637 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.42
AKT1 P31749 1/20 0.42
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HPGD P15428 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
SCHEMBL10869847 0.91 TDP1 (0.51) THRBLMNAF2TDP1TSHR
SCHEMBL1247174 0.91 TDP1 (0.56) THRBLMNAF2TDP1TSHR
SCHEMBL10868865 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL10869207 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL10868377 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL10868720 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL10869069 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL8719254 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL10868646 0.90 TSHR (0.54) THRBLMNAF2TDP1TSHR
SCHEMBL434163 0.87 THRB (0.65) THRBLMNAF2TDP1TSHR

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-2285587-A2 IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS SICPA HOLDING SA (CH) 2011-02-23 EP disclosed
WO-2009121605-A2 IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS SICPA HOLDING S.A. (CH) 2009-10-08 WO disclosed
EP-0184482-A1 Thermotropical polymers with chiral lateral chains, and process for their preparation THOMSON-CSF (FR) 1986-06-11 EP disclosed