SCHEMBL1834618

SCHEMBL1834618

NCCCC(N)CCCO.O=C(O)c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ ALB P02768 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36

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
Phthalic Acid SCHEMBL1832573 0.91 ALDH1A1 (0.45) MMP2ALDH1A1ALOX15HTTHTR2A
Salicylic Acid SCHEMBL1831848 0.86 ALDH1A1 (0.51) MMP2ALDH1A1ALOX15HTTHTR2A
SCHEMBL1836288 0.84 ALDH1A1 (0.53) POLBCES2CES1ERCC5FEN1
SCHEMBL1836410 0.84 HMGB1 (0.39) ALBMMP2ALDH1A1ALOX15HTT
Benzoic Acid SCHEMBL1833791 0.82 DAO (0.45) CES2CES1MMP2MEN1KMT2A
Monoethanolamine SCHEMBL1832986 0.81 CES2 (0.54) CES2CES1ALBPTPN1ERCC5
SCHEMBL1834602 0.81 GSR (0.33) MMP2MEN1KMT2AALDH1A1HTT
Phenylacetic Acid SCHEMBL1833422 0.79 AKR1B1 (0.52) CES2CES1MMP2HTTHTR2A
SCHEMBL5551164 0.77 HTT (0.47) POLBPTPN1ERCC5FEN1NPC1
Benzoic Acid SCHEMBL5547713 0.77 DAO (0.40) CES2CES1MMP2HTR2AHRH1

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
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
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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