SCHEMBL990700

SCHEMBL990700

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Oc1ccc(CN)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
LTA4H P09960 3/20 0.55
TRPV1 Q8NER1 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.51
CNR1 P21554 4/20 0.50
TOP2A P11388 1/20 0.50
THRB P10828 1/20 0.50
CNR2 P34972 3/20 0.49
FAAH O00519 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ALOX5 P09917 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48

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
SCHEMBL9895595 0.94 EPHX2 (0.59) EPHX2LTA4HTRPV1MAPTHPGD
SCHEMBL438428 0.87 ALOX15 (0.62) EPHX2LTA4HTRPV1ALOX15TOP2A
SCHEMBL28853476 0.86 ALOX15 (0.61) EPHX2LTA4HTRPV1ALOX15TOP2A
SCHEMBL2816525 0.84 LTA4H (0.63) EPHX2LTA4HTRPV1MAPTHPGD
SCHEMBL28331254 0.83 TOP2A (0.59) EPHX2LTA4HTRPV1ALDH1A1MAPT
SCHEMBL9309996 0.81 PTGS1 (0.58) EPHX2LTA4HTRPV1ALDH1A1MAPT
Arachidonic Acid SCHEMBL28301219 0.81 TRPV1 (0.67) LTA4HTRPV1ALDH1A1MAPTHPGD
SCHEMBL20739828 0.81 PTGS1 (0.58) EPHX2LTA4HTRPV1ALDH1A1MAPT
SCHEMBL28975632 0.78 ALOX15 (0.57) EPHX2ALDH1A1MAPTHPGDALOX15
SCHEMBL891275 0.77 TOP2A (0.67) EPHX2LTA4HTRPV1ALDH1A1ALOX15

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011513484-A 2011-04-28 JP claimed
EP-2271329-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS President and Fellows of Harvard College (US) 2011-01-12 EP claimed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 WO claimed
WO-2020142657-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-07-09 WO disclosed
WO-2020008261-A2 METHODS AND COMPOSITIONS FOR TREATING PAIN AND ITCH YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-01-09 WO disclosed
EP-3331609-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE President and Fellows of Harvard College (US) 2018-06-13 EP disclosed
CN-107469085-A Treat method, composition and the kit of pain and itch 哈佛大学校长及研究员协会 2017-12-15 CN disclosed
CN-103933572-B Treat method, composition and the kit of pain and itch 哈佛大学校长及研究员协会 2017-10-13 CN disclosed
WO-2017024037-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-09 WO disclosed
EP-3003321-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF TO TREAT RECURRENT MALIGNANT GLIOMA OR PROGRESSIVE SECONDARY BRIAN TUMOR Del Mar Pharmaceuticals (CA) 2016-04-13 EP disclosed
WO-2014194312-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF TO TREAT RECURRENT MALIGNANT GLIOMA OR PROGRESSIVE SECONDARY BRIAN TUMOR DEL MAR PHARMACEUTICALS (CA) 2014-12-04 WO disclosed
CN-103933572-A Methods, compositions, and kits for treating pain and pruritis HARVARD COLLEGE 2014-07-23 CN disclosed
WO-2014028675-A1 USE OF AMINOINDANE COMPOUNDS IN TREATING OVERACTIVE BLADDER AND INTERSTITIAL CYSTITIS ENDO PHARMACEUTICALS INC. (US) 2014-02-20 WO disclosed
EP-2271329-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS President and Fellows of Harvard College (US) 2011-01-12 EP disclosed
CN-101610789-A Methods, compositions and kits for treating pain and itch HARVARD COLLEGE (US) 2009-12-23 CN disclosed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 WO disclosed