SCHEMBL2919973

SCHEMBL2919973

O=C(O)C=C(Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.46
CES1 P23141 3/20 0.46
ALDH1A1 P00352 2/20 0.46
CES2 O00748 2/20 0.46
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA9 Q16790 2/20 0.45
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
PDPK1 O15530 2/20 0.43
AKT1 P31749 1/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CA4 P22748 2/20 0.42

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
SCHEMBL7258488 0.82 CES2 (0.46) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL27991438 0.82 CA2 (0.47) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL28084535 0.82 NFE2L2 (0.43) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL9077771 0.82 CES2 (0.46) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL28041285 0.77 CES1 (0.47) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL243722 0.75 NFE2L2 (0.70) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL3829338 0.75 NFE2L2 (0.70) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL2593117 0.75 NFE2L2 (0.70) NFE2L2CES1ALDH1A1CES2TSHR
SCHEMBL63954 0.75 CES1 (0.50) NFE2L2CES1ALDH1A1CES2TSHR
Hydrochloric Acid SCHEMBL4398755 0.73 NFE2L2 (0.48) NFE2L2CES1ALDH1A1CES2TSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747059-A1 PERVAPORATION COMPOSITE MEMBRANES McMaster University (CA) 2007-01-31 EP claimed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 US claimed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 WO claimed
EP-2226192-B1 DRYING SUBSTANCES, PREPARATION AND USE THEREOF ORIDION MEDICAL 1987 LTD (IL) 2016-08-31 EP disclosed
EP-2226116-B1 Drying tube, preparation and use thereof ORIDION MEDICAL 1987 LTD (IL) 2016-04-20 EP disclosed
US-20150283519-A1 DRYING SUBSTANCES, PREPARATION AND USE THEREOF ORIDION MEDICAL 1987 LTD. (IL) 2015-10-08 US disclosed
US-9090766-B2 Drying substances, preparation and use thereof ORIDION MEDICAL 1987 LTD. (IL) 2015-07-28 US disclosed
US-9067035-B2 Drying substances, preparation and use thereof ORIDION MEDICAL (1987) LTD. (IL) 2015-06-30 US disclosed
US-20140230652-A1 DRYING SUBSTANCES, PREPARATION AND USE THEREOF ORIDION MEDICAL (1987) LTD. (IL) 2014-08-21 US disclosed
US-8764888-B2 Drying substances, preparation and use thereof ORIDION MEDICAL 1987 LTD. (IL) 2014-07-01 US disclosed
CN-103882543-A Anti-mite antibacterial thermoplastic polymer melt spun fiber and preparation method thereof SHANGHAI SYNTHETIC FIBRE RES INST 2014-06-25 CN disclosed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 US disclosed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 WO disclosed
US-6369098-B1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR-.GAMMA. (PPAR.GAMMA.) AND/OR PPAR.ALPHA TREATMENT OF ENDOCRINE, SKIN, CARDIOVASCULAR, IMMUNOLOGICAL, NEUROLOGICAL, NEUROPSYCHIATRIC, NEOPLASTIC AND CHRONIC VIRAL DISEASES OF VARIOUS ORGANS BETHESDA PHARMACEUTICALS, INC. 2002-04-09 US disclosed
WO-2001025226-A1 DITHIOLANE DERIVATIVES BETHESDA PHARMACEUTICALS, INC. (US) 2001-04-12 WO disclosed
US-5767141-A Substituted propane derivatives, a process for their preparation and the use of the compounds for treating diseases HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5739147-A Cyclohexane derivatives, process for their preparation, and the use of the compounds for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed