SCHEMBL10782810

SCHEMBL10782810

CC(=O)OC(CCC(OC(C)=O)OC(C)=O)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BLM P54132 2/20 0.41
GALR3 O60755 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HRH1 P35367 1/20 0.35
KMT2A Q03164 1/20 0.35
PMP22 Q01453 1/20 0.33

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
SCHEMBL10786488 0.92 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2230506 0.88 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11862322 0.87 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL190306 0.86 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11101510 0.85 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6897262 0.84 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL204649 0.84 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17014686 0.82 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL812118 0.82 ALOX15 (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11140994 0.82 ALDH1A1 (0.44) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125781-B1 PEROXYGEN COMPOUNDS Interox Chemicals Limited (GB) 1987-08-12 EP claimed
EP-0122763-B1 BLEACH COMPOSITIONS Interox Chemicals Limited (GB) 1987-06-16 EP claimed
US-4541944-A BLEACHES, LAUNDRY INTEROX CHEMICALS LIMITED (GB) 1985-09-17 US claimed
EP-0125781-A1 Peroxygen compounds Interox Chemicals Limited (GB) 1984-11-21 EP claimed
EP-0125781-B1 PEROXYGEN COMPOUNDS Interox Chemicals Limited (GB) 1987-08-12 EP disclosed
EP-0122763-B1 BLEACH COMPOSITIONS Interox Chemicals Limited (GB) 1987-06-16 EP disclosed
US-4545784-A LOW-TEMPERATURE ACTIVATED BLEACHES; LAUNDERING; ANTISEPTICS; STORAGE STABILITY INTEROX CHEMICALS LIMITED (GB) 1985-10-08 US disclosed
US-4541944-A BLEACHES, LAUNDRY INTEROX CHEMICALS LIMITED (GB) 1985-09-17 US disclosed
EP-0125781-A1 Peroxygen compounds Interox Chemicals Limited (GB) 1984-11-21 EP disclosed
EP-0122763-A2 Bleach compositions Interox Chemicals Limited (GB) 1984-10-24 EP disclosed