SCHEMBL1834602

SCHEMBL1834602

NCCCC(N)CCCO.NCCCC(N)CCCO.NCCCC(N)CCCO.NCCCC(N)CCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ S1PR2 O95136 1/20 0.32
▸ S1PR1 P21453 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
SCHEMBL1836410 0.91 HMGB1 (0.39) GSRHTR2AHRH1MMP2HTT
Phthalic Acid SCHEMBL1832573 0.86 ALDH1A1 (0.45) HTR2AHRH1MMP2S1PR2S1PR1
Salicylic Acid SCHEMBL1831848 0.81 ALDH1A1 (0.51) HTR2AHRH1MMP2HSD17B10TDP1
SCHEMBL1834618 0.81 POLB (0.40) HTR2AHRH1MMP2MEN1KMT2A
SCHEMBL1836288 0.80 ALDH1A1 (0.53) HTR2AHRH1MMP2HTTTSHR
Benzoic Acid SCHEMBL1833791 0.79 DAO (0.45) HTR2AHRH1MMP2MEN1KMT2A
SCHEMBL1838351 0.79 GSR (0.34) GSRCPB2ALDH1A1
SCHEMBL1832437 0.79 GSR (0.34) GSRCPB2HTTALDH1A1
Bicarbonate SCHEMBL5155014 0.79 GSR (0.45) GSRMEN1KMT2ACYP2D6SLC6A2
Bicarbonate SCHEMBL1829915 0.79 GSR (0.45) GSRMEN1KMT2ACYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US disclosed
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