SCHEMBL1836288

SCHEMBL1836288

NCCCC(N)CCCO.O=C(O)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ SLC16A3 O15427 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35

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 0.90 ALDH1A1 (0.45) ALDH1A1HTTHTR2AHRH1MMP2
SCHEMBL1834618 0.84 POLB (0.40) ALDH1A1CES2CES1ERCC5FEN1
Salicylic Acid SCHEMBL1831848 0.84 ALDH1A1 (0.51) ALDH1A1TSHRHTTHTR2AHRH1
SCHEMBL1836410 0.83 HMGB1 (0.39) ALDH1A1HTTHTR2AHRH1MMP2
Monoethanolamine SCHEMBL1832662 0.82 ALDH1A1 (0.73) ALDH1A1TSHRCES2CES1ERCC5
Benzoic Acid SCHEMBL1833791 0.81 DAO (0.45) TSHRCES2CES1HTR2AHRH1
SCHEMBL1834602 0.80 GSR (0.33) ALDH1A1TSHRHTTHTR2AHRH1
SCHEMBL5547296 0.78 ALDH1A1 (0.53) ALDH1A1ERCC5FEN1SLC16A3HTT
Butylamine SCHEMBL27494978 0.76 ALDH1A1 (0.63) ALDH1A1TSHRCES2CES1ERCC5
Benzoic Acid SCHEMBL5547713 0.76 DAO (0.40) TSHRCES2CES1HTR2AHRH1

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 12 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-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
Send feedback