SCHEMBL3338733

SCHEMBL3338733

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.69
HPGD P15428 1/20 0.69
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.49
HCAR2 Q8TDS4 3/20 0.44
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
NAAA Q02083 1/20 0.36

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
SCHEMBL11398066 0.84 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5464973 0.84 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11497024 0.83 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11582291 0.83 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5681395 0.83 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL15037 0.83
SCHEMBL1331857 0.83
SCHEMBL1330627 0.83
SCHEMBL7634294 0.82 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10823313 0.82 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4ATM

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-20060257673-A1 Laminates, their production and use CELANESE EMULSIONS GMBH (DE) 2006-11-16 US claimed
US-20050124759-A1 Aqueous coating compositions method for the production thereof and their use for producing in particular thixotropic coating compositions CELANESE EMULSIONS GMBH (DE) 2005-06-09 US claimed
US-8436088-B2 Plasters and renders and paints, copolymer dispersions and their use CELANESE EMULSIONS GMBH (DE) 2013-05-07 US disclosed
US-20100144925-A1 Plasters and Renders and Paints, Copolymer Dispersions and Their Use NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-06-10 US disclosed
US-20060257673-A1 Laminates, their production and use CELANESE EMULSIONS GMBH (DE) 2006-11-16 US disclosed
US-20050124759-A1 Aqueous coating compositions method for the production thereof and their use for producing in particular thixotropic coating compositions CELANESE EMULSIONS GMBH (DE) 2005-06-09 US disclosed