SCHEMBL6652791

SCHEMBL6652791

CC(C)CC(C)OC(=O)CCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
LMNA P02545 4/20 0.46
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42
AKR1B1 P15121 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PLA2G10 O15496 1/20 0.41
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
GPR84 Q9NQS5 4/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL28795594 0.96 TSHR (0.52) TSHRLMNANFKB1PMP22AKR1B1
SCHEMBL3765880 0.92 LMNA (0.52) TSHRLMNACYP19A1ALDH1A1MEN1
SCHEMBL10403448 0.90 LMNA (0.55) TSHRLMNACYP19A1ALDH1A1MEN1
SCHEMBL27448246 0.88 EGLN1 (0.43) LMNACYP19A1
SCHEMBL491457 0.87 LMNA (0.47) TSHRLMNACYP19A1ALDH1A1
SCHEMBL791222 0.84 LMNA (0.50) TSHRLMNAAKR1B1ALDH1A1PPARG
SCHEMBL536629 0.84 MAPT (0.47) TSHRLMNANFKB1PMP22AKR1B1
SCHEMBL8419684 0.84 LMNA (0.66) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4140768 0.83 TSHR (0.42) TSHRLMNANFKB1PMP22AKR1B1
SCHEMBL9885357 0.83 CYP19A1 (0.48) TSHRLMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064082-B1 CONTAMINANT DISPERSANTS USEFUL IN RECYCLING OF TREATED CONTAINERS NALCO CO (US) 2004-06-02 EP claimed
US-6113738-A ADDING PLASTICIZER SELECTED FROM ADIPIC ACID, DIMETHYL ADIPATE, DIETHYL ADIPATE, DIISOBUTYL ADIPATE AND OTHER ESTERS OF ADIPIC ACID; DISPERSING TO OBTAIN TREATED FIBER; SEPARATING TREATED FIBER FROM SLURRY CONTAINING WAX; RECOVERING FIBER NALCO CHEMICAL COMPANY (US) 2000-09-05 US claimed
EP-1064082-B1 CONTAMINANT DISPERSANTS USEFUL IN RECYCLING OF TREATED CONTAINERS NALCO CO (US) 2004-06-02 EP disclosed
US-20010041749-A1 Contaminant dispersants useful in recycling of treated containers ECOLAB USA INC. 2001-11-15 US disclosed
US-6248793-B1 MIXTURE OF WATER, PLASTICIZER AND SURFACTANTS NALCO CHEMICAL COMPANY 2001-06-19 US disclosed
EP-1064082-A4 CONTAMINANT DISPERSANTS USEFUL IN RECYCLING OF TREATED CONTAINERS NALCO CHEMICAL CO (US) 2001-04-11 EP disclosed
EP-1064082-A1 CONTAMINANT DISPERSANTS USEFUL IN RECYCLING OF TREATED CONTAINERS NALCO CHEMICAL COMPANY (US) 2001-01-03 EP disclosed
US-6113738-A ADDING PLASTICIZER SELECTED FROM ADIPIC ACID, DIMETHYL ADIPATE, DIETHYL ADIPATE, DIISOBUTYL ADIPATE AND OTHER ESTERS OF ADIPIC ACID; DISPERSING TO OBTAIN TREATED FIBER; SEPARATING TREATED FIBER FROM SLURRY CONTAINING WAX; RECOVERING FIBER NALCO CHEMICAL COMPANY (US) 2000-09-05 US disclosed
WO-1999047248-A1 CONTAMINANT DISPERSANTS USEFUL IN RECYCLING OF TREATED CONTAINERS NALCO CHEMICAL COMPANY (US) 1999-09-23 WO disclosed