SCHEMBL1831602

SCHEMBL1831602

CNCCO.CNCCO.CNCCO.O=C(O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
CLCN2 P51788 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
FOLH1 Q04609 1/20 0.37
CDC25B P30305 2/20 0.37
CDC25A P30304 1/20 0.37
ATM Q13315 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
SCHEMBL1835458 0.89 CYP1A2 (0.38) AKR1C3HTTALDH1A1ALOX15KDM4E
Phthalic Acid SCHEMBL1833083 0.87 ALDH1A1 (0.56) AKR1C3HTTALDH1A1ALOX15KDM4E
Diethanolamine SCHEMBL1832794 0.85 ALDH1A1 (0.43) AKR1C3HTTALDH1A1ALOX15POLB
Ethylene Glycol SCHEMBL9725011 0.82 ALDH1A1 (0.52) AKR1C3ALDH1A1ALOX15KDM4EKMT2A
Salicylic Acid SCHEMBL1835282 0.81 ALDH1A1 (0.62) HTTALDH1A1ALOX15KDM4EKMT2A
Alcohol SCHEMBL28252328 0.81 ALDH1A1 (0.50) AKR1C3ALDH1A1ALOX15POLBKDM4E
SCHEMBL1836779 0.79 ALDH1A1 (0.63) AKR1C3ALDH1A1POLBKMT2AHPGD
SCHEMBL1833003 0.79 GAA (0.51) ALDH1A1ALOX15POLB
Alcohol SCHEMBL27662211 0.79 ALDH1A1 (0.48) AKR1C3ALDH1A1ALOX15POLBKDM4E
SCHEMBL28753389 0.78 ALDH1A1 (0.57) AKR1C3ALDH1A1ALOX15POLBKDM4E

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