SCHEMBL6258447

SCHEMBL6258447

CCOOC(=O)CCC(=O)OOCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 4/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32

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
SCHEMBL22467688 0.90 GAA (0.50) TSHRALDH1A1GAAMGAMSI
SCHEMBL3447386 0.90 EGLN1 (0.46) TSHRALDH1A1LMNAHSD17B10ALOX15
SCHEMBL214978 0.89
SCHEMBL31426278 0.89 DGKA (0.43) TSHRALDH1A1GAAMGAMSI
SCHEMBL19767587 0.88 TSHR (0.44) TSHRALDH1A1GAAMGAMSI
SCHEMBL5902744 0.87 ALDH1A1 (0.52) TSHRALDH1A1GAAMGAMSI
Glycine SCHEMBL20600371 0.86 GLRA1 (0.43) TSHRALDH1A1GAAMGAMSI
SCHEMBL445303 0.85 CES1 (0.46) TSHRALDH1A1CYP1A2LMNAMAPT
SCHEMBL28734097 0.85
SCHEMBL8903601 0.83 ALDH1A1 (0.41) TSHRALDH1A1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744115-B2 Natural personal care cream to powder compositions THE CLOROX COMPANY (US) 2017-08-29 US disclosed
US-20150216785-A1 NATURAL PERSONAL CARE CREAM TO POWDER COMPOSITIONS The Burt's Bees Products Company (US) 2015-08-06 US disclosed
EP-1194490-B1 INK COMPOSITIONS AVECIA INKJET LTD (GB) 2005-07-20 EP disclosed
EP-1194490-A1 INK COMPOSITIONS Avecia Limited (GB) 2002-04-10 EP disclosed
WO-2000078876-A1 INK COMPOSITIONS AVECIA LIMITED (GB) 2000-12-28 WO disclosed
WO-2000036030-A1 INKS COMPOSITIONS AND THEIR USE IN INK JET PRINTING AVECIA LIMITED (GB) 2000-06-22 WO disclosed