SCHEMBL7769547

SCHEMBL7769547

CCCCCCCCCCCC[C@](OC(C)=O)(C(=O)O)[C@@H](OC(C)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 2/20 0.35
ACE2 Q9BYF1 1/20 0.35
PRKCA P17252 2/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
GPR84 Q9NQS5 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL8099515 1.00 FFAR4 (0.35) FFAR4FFAR1ACE2PRKCAPPARG
SCHEMBL9954185 0.77 GPR84 (0.38) FFAR4FFAR1ACE2PPARDGPR84
SCHEMBL38967 0.74 GPR84 (0.37) FFAR1ACE2PPARGPPARDPPARA
SCHEMBL10889167 0.71 LMNA (0.38) FFAR4FFAR1ACE2PPARGPPARD
SCHEMBL28601399 0.71 MEN1 (0.40) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL9777663 0.70 HSPD1 (0.58) FFAR4FFAR1ACE2PPARDGPR84
SCHEMBL9257689 0.69 SMPD1 (0.41) PPARGPPARDPPARAHDAC11TSHR
SCHEMBL28497128 0.69 GAA (0.48) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL8682806 0.69 MEN1 (0.39) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL28492857 0.69 SMPD1 (0.41) PPARGPPARDPPARAHDAC11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721446-B1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORP (US) 2001-07-18 EP disclosed
US-6090250-A CAPILLARY ELECTROPHORESIS CHROMATOGRAPHY USING AN ANIONIC SURFACTANT HAVING A HYDROPHOBIC TAIL IN A CHANNEL WITH AN ELECTROLYTE SOLUTION WHERE THE COMPOUND, E.G., ASPARTAME, IS INJECTED, VOLTAGE APPLIED AND MICELLES FORMED; HIGH SPEED WATERS INVESTMENTS LIMITED (US) 2000-07-18 US disclosed