SCHEMBL1836410

SCHEMBL1836410

NCCCC(N)CCCO.NCCCC(N)CCCO.NCCCC(N)CCCO.O=C(O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGB1 P09429 1/20 0.39
▸ HTT P42858 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MMP2 P08253 3/20 0.34
▸ ALB P02768 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HNF4A P41235 1/20 0.32
▸ GSR P00390 1/20 0.32

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
SCHEMBL1834602 0.91 GSR (0.33) HMGB1HTTHTR2AHRH1MMP2
Phthalic Acid SCHEMBL1832573 0.89 ALDH1A1 (0.45) HMGB1HTTHTR2AHRH1MMP2
SCHEMBL1834618 0.84 POLB (0.40) HTTHTR2AHRH1MMP2ALB
Salicylic Acid SCHEMBL1831848 0.84 ALDH1A1 (0.51) HMGB1HTTHTR2AHRH1MMP2
SCHEMBL1836288 0.83 ALDH1A1 (0.53) HTTHTR2AHRH1MMP2ALDH1A1
Monoethanolamine SCHEMBL1834713 0.81 HMGB1 (0.50) HMGB1MMP2ALBALDH1A1ALOX15
Benzoic Acid SCHEMBL1833791 0.80 DAO (0.45) HTR2AHRH1MMP2ALOX15KDM4E
SCHEMBL1838351 0.77 GSR (0.34) ALDH1A1GSR
SCHEMBL1832437 0.77 GSR (0.34) HTTALDH1A1FOLH1GSR
Bicarbonate SCHEMBL5155014 0.77 GSR (0.45) ALDH1A1ALOX15HDAC8GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 — — EP claimed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 — — WO claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 — — 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
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
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US disclosed
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 — — EP disclosed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 — — WO disclosed
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