SCHEMBL1835458

SCHEMBL1835458

CNCCO.CNCCO.CNCCO.CNCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
AKR1C3 P42330 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
KDM4E B2RXH2 4/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KDM6B O15054 1/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL1831602 0.89 AKR1C3 (0.41) KMT2AHTTAKR1C3HSD17B10CDC25A
Diethanolamine SCHEMBL1831967 0.84 CYP1A2 (0.41) CYP1A2KMT2AHTTHSD17B10KDM4E
Phthalic Acid SCHEMBL1833083 0.82 ALDH1A1 (0.56) KMT2AHTTAKR1C3HSD17B10CDC25A
Ethylene Glycol SCHEMBL9725105 0.81 CYP1A2 (0.50) CYP1A2KMT2AAKR1C3HSD17B10CDC25A
SCHEMBL28244667 0.78 CYP1A2 (0.58) CYP1A2AKR1C3HSD17B10CDC25ACDC25B
Alcohol SCHEMBL27681746 0.77 CYP1A2 (0.46) CYP1A2KMT2AAKR1C3HSD17B10CDC25A
Salicylic Acid SCHEMBL1835282 0.77 ALDH1A1 (0.62) KMT2AHTTHSD17B10KDM4EGLA
SCHEMBL29445717 0.76 CYP1A2 (0.61) CYP1A2AKR1C3HSD17B10CDC25ACDC25B
SCHEMBL22989 0.76 CYP1A2 (0.61) CYP1A2AKR1C3HSD17B10CDC25ACDC25B
SCHEMBL1988762 0.76 CYP1A2 (0.61) CYP1A2AKR1C3HSD17B10CDC25ACDC25B

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-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
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN 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