SCHEMBL1131461

SCHEMBL1131461

CCCCCCCCCCCC(C(=O)O)C(=O)O.CCCCN(CCO)CCO.CCCCN(CCO)CCO

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ ZDHHC20 Q5W0Z9 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.43
▸ KDM5A P29375 3/20 0.43
▸ PHF8 Q9UPP1 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ GRIK1 P39086 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ LMNA P02545 1/20 0.38

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
SCHEMBL30714400 0.97 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
Trolamine SCHEMBL28864884 0.96 GPR84 (0.50) GPR84FFAR1MAPTLCKPPARD
Trolamine SCHEMBL29895320 0.96 GPR84 (0.50) GPR84FFAR1MAPTLCKPPARD
SCHEMBL30714379 0.90 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
Dimethylaminoethanol SCHEMBL1131755 0.84 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1104252 0.84 MAPT (0.41) GPR84FFAR1MAPTLCKPPARD
SCHEMBL25423187 0.83 GRIK1 (0.49) GPR84FFAR1MAPTLCKPPARD
SCHEMBL19032582 0.83 GRIK1 (0.49) GPR84FFAR1MAPTLCKPPARD
Ethylene Glycol SCHEMBL17472958 0.83 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
Ethylene Glycol SCHEMBL27936369 0.83 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD

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
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 — — EP disclosed
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 — — CN disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 — — US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US disclosed
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