SCHEMBL6135514

SCHEMBL6135514

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CCCCCCO)CCCCCCCCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.59
FFAR1 O14842 3/20 0.59
GPR84 Q9NQS5 8/20 0.57
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 4/20 0.57
PTPN1 P18031 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
FABP4 P15090 2/20 0.57
KMT2A Q03164 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX15 P16050 1/20 0.57
PDE4A P27815 1/20 0.57

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
SCHEMBL3923975 1.00 FFAR4 (0.59) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL1962661 0.93 FFAR4 (0.67) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL6135273 0.93 FFAR4 (0.67) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL8002202 0.91 FFAR4 (0.65) FFAR4FFAR1GPR84PPARGPPARD
Stearic Acid SCHEMBL27442953 0.88 FFAR4 (0.61) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL26503035 0.88 CA2 (0.50) TSHRALDH1A1KMT2AMEN1HSD17B10
SCHEMBL29109109 0.87 FFAR4 (0.59) FFAR4FFAR1GPR84PPARGPPARD
SCHEMBL9501494 0.86 CES2 (0.59) FFAR4FFAR1
SCHEMBL5027732 0.86 CES2 (0.59) FFAR4FFAR1
SCHEMBL22016019 0.86 CES2 (0.59) FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056712-A4 12-HYDROXY STEARIC ACID ESTERS, COMPOSITIONS BASED UPON SAME AND METHODS OF USING AND MAKING SUCH COMPOSITIONS BERNEL CHEMICAL COMPANY INC (US) 2005-01-05 EP disclosed
EP-1115478-A4 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID BERNEL CHEMICAL COMPANY INC (US) 2003-05-28 EP disclosed
EP-1069882-A4 DI-BEHENYL FUMARATE AND ITS USE IN DERMATOLOGICAL PRODUCTS BERNEL CHEMICAL COMPANY INC (US) 2002-05-29 EP disclosed
EP-1115478-A2 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID Bernel Chemical Company, Inc. (US) 2001-07-18 EP disclosed
EP-1069882-A1 DI-BEHENYL FUMARATE AND ITS USE IN DERMATOLOGICAL PRODUCTS Bernel Chemical Company, Inc. (US) 2001-01-24 EP disclosed
EP-1056712-A1 12-HYDROXY STEARIC ACID ESTERS, COMPOSITIONS BASED UPON SAME AND METHODS OF USING AND MAKING SUCH COMPOSITIONS Bernel Chemical Company, Inc. (US) 2000-12-06 EP disclosed
US-6126951-A SILICONE-FREE CARBON BASED REPLACEMENTS FOR THE VOLATILE CYCLOMETHICONES. BERNEL CHEMICAL COMPANY, INC. (US) 2000-10-03 US disclosed
WO-2000003680-A2 EMOLLIENT ESTERS BASED UPON CAPRYL ALCOHOL AND ISOSTEARIC ACID BERNEL CHEMICAL COMPANY, INC. (US) 2000-01-27 WO disclosed
US-5993861-A SYNTHETIC, BRANCHED CHAIN, OIL SOLUBLE, FATTY ACID ESTERS WHICH, WHEN PREFERABLY PARTIALLY NEUTRALIZED IN SITU, IS REVEALED AS A NEW WATER-IN-OIL EMULSIFIER. BERNEL CHEMICAL CO., INC. (US) 1999-11-30 US disclosed
WO-1999051191-A1 DI-BEHENYL FUMARATE AND ITS USE IN DERMATOLOGICAL PRODUCTS BERNEL CHEMICAL COMPANY, INC. (US) 1999-10-14 WO disclosed
WO-1999036386-A1 12-HYDROXY STEARIC ACID ESTERS, COMPOSITIONS BASED UPON SAME AND METHODS OF USING AND MAKING SUCH COMPOSITIONS BERNEL CHEMICAL COMPANY, INC. (US) 1999-07-22 WO disclosed