SCHEMBL1833286

SCHEMBL1833286

COCCNCCOC.O=C(O)CCCCCCCCCCCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
TSHR P16473 6/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ADRA1A P35348 1/20 0.48
PRMT1 Q99873 1/20 0.47
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
PTPN1 P18031 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46

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
Dodecanoate SCHEMBL1833502 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
Decanoic Acid SCHEMBL1837635 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
Heptanoate SCHEMBL1838929 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
Undecanoate SCHEMBL5546474 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
Undecanoate SCHEMBL1831973 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
Octanoic Acid SCHEMBL1832375 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
Nonanoate SCHEMBL1833327 0.93 GPR84 (0.61) ALDH1A1TSHRLMNAGPR84PPARG
SCHEMBL27957508 0.92 ALDH1A1 (0.57) ALDH1A1TSHRLMNANFKB1PMP22
Hexanoate SCHEMBL1832461 0.90 AKR1B1 (0.59) ALDH1A1TSHRLMNAGPR84PPARG
Hexanoate SCHEMBL5027616 0.90 AKR1B1 (0.59) ALDH1A1TSHRLMNAGPR84PPARG

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
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed