SCHEMBL7770709

SCHEMBL7770709

CCCCCCCCCCN(CCCCCCCCCC)[C@@H](C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.46
GPR84 Q9NQS5 10/20 0.45
FFAR1 O14842 2/20 0.45
PPARD Q03181 8/20 0.44
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
PPARG P37231 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7193859 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL19032561 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL28856639 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL28856640 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL28303043 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL7770712 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL9839518 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL11137702 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL9839621 1.00 ACE2 (0.46) ACE2GPR84FFAR1PPARDMAPT
SCHEMBL10973416 0.98 ACE2 (0.42) ACE2GPR84FFAR1PPARDMAPT

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 4 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
EP-0721446-A1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS Waters Corporation (US) 1996-07-17 EP disclosed
WO-1995008529-A1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORPORATION (US) 1995-03-30 WO disclosed