SCHEMBL1840063

SCHEMBL1840063

COCCNCCOC.O=C(O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
NAAA Q02083 1/20 0.37

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
Diethanolamine SCHEMBL1833815 0.77 CES2 (0.41) SMN1; SMN2EPHX2ALDH1A1TSHRNPC1
SCHEMBL24116980 0.76 KMT2A (0.58) SMN1; SMN2EPHX2ALDH1A1POLBKDM4E
SCHEMBL1674736 0.76 KMT2A (0.58) SMN1; SMN2EPHX2ALDH1A1POLBKDM4E
SCHEMBL7713439 0.76 NAAA (0.53) EPHX2ALDH1A1KDM4ENAAA
SCHEMBL30832082 0.76 KMT2A (0.58) SMN1; SMN2EPHX2ALDH1A1POLBKDM4E
Bicarbonate SCHEMBL1831706 0.76 KDM4E (0.46) ALDH1A1TSHRKDM4EATMTDP1
Methoxymethane SCHEMBL29012225 0.76 TSHR (0.46) SMN1; SMN2ALDH1A1TSHRLMNA
Bicarbonate SCHEMBL1834592 0.76 KDM4E (0.46) ALDH1A1TSHRKDM4EATMTDP1
Diethylamine SCHEMBL30685960 0.75 CES2 (0.42) SMN1; SMN2TSHRRAB9ALMNANAAA
SCHEMBL9935521 0.75 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1POLB

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 9 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
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