SCHEMBL4070523

SCHEMBL4070523

C=CC(=O)OC(C[N+](C)(C)Cc1ccccc1)OC(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
THRB P10828 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
ALPG P10696 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
HCAR2 Q8TDS4 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
Hydrochloric Acid SCHEMBL29190747 0.99 TSHR (0.39) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL7610069 0.87 ALDH1A1 (0.39) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL3904661 0.86 TSHR (0.38) TSHRTHRBALDH1A1KDM4ETDP1
SCHEMBL29005899 0.80 DNM1 (0.39) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL7049934 0.79 MEN1 (0.40) TSHRTHRBALDH1A1KDM4ETDP1
SCHEMBL2831035 0.79 TSHR (0.36) TSHRTHRBALDH1A1KDM4ETDP1
SCHEMBL2743760 0.78 TSHR (0.41) TSHRTHRBALDH1A1KDM4ETDP1
Iodide SCHEMBL29161127 0.77 TSHR (0.40) TSHRTHRBALDH1A1KDM4ETDP1
Fluoride Ion SCHEMBL29161106 0.77 TSHR (0.40) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL1683544 0.77 ALDH1A1 (0.40) TSHRTHRBALDH1A1KDM4ETDP1

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-3670540-B1 STARCH-CONTAINING MICROSPHERE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2023-07-26 EP claimed
EP-1846477-B1 POLYMER DISPERSION AND PROCESS FOR PREPARING A POLYMER DISPERSION KEMIRA OYJ (FI) 2016-03-09 EP claimed
EP-1379566-B1 ION-SENSITIVE CATIONIC POLYMERS AND FIBROUS ITEMS USING SAME KIMBERLY CLARK CO (US) 2009-07-29 EP claimed
EP-1475075-B1 Alcaline straightening of the hair in the presence of a hydrosoluble polymer having a high molecular weight OREAL (FR) 2009-07-22 EP claimed
EP-1419897-B1 Ink jet recording material AGFA GEVAERT (BE) 2007-06-27 EP claimed
EP-1511781-B1 CATIONIC CORE-SHELL PARTICLES WITH ACID-SWELLABLE SHELLS MEADWESTVACO CORP LAW DEPT (US) 2006-01-18 EP claimed
EP-1561452-A1 Cosmetic composition comprising a cationic polymer and a high molecular weight polymer; use thereof L'OREAL (FR) 2005-08-10 EP claimed
EP-1555011-A1 Cosmetic detergent composition comprising an aminofunctional silicone and a high molecular weight polymer L'OREAL (FR) 2005-07-20 EP claimed
EP-1552811-A1 Detergent cosmetic compositions comprising a tenside, a high molecular weight spinning polymer and a conditioning agent and use thereof L'OREAL (FR) 2005-07-13 EP claimed
EP-1552810-A1 Cosmetic detergent composition comprising a silicone and a high molecular weight polymer L'OREAL (FR) 2005-07-13 EP claimed
EP-1552809-A1 Cosmetic composition comprising a cationic surfactant, a high molecular weight spinning polymer and a thickener and cosmetic process L'OREAL (FR) 2005-07-13 EP claimed
EP-1552808-A1 Cosmetic detergent composition comprising a surfactant, a high molecular weight polymer and particles L'OREAL (FR) 2005-07-13 EP claimed
EP-1475075-A1 Alcaline straighening of the hair in the presence of a hydrosoluble polymer having a high molecular weight L'OREAL (FR) 2004-11-10 EP claimed
EP-1430877-A1 Composition for dyeing of keratinous fibres containing an oxidation base and a specific polymer, process of preparation of this composition and process of dyeing with this composition L'OREAL (FR) 2004-06-23 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
WO-2002041856-A1 USE IN COSMETICS OF A WATER SOLUBLE POLYMER IN THE FORM OF A DISPERSION AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2002-05-30 WO claimed
EP-0878198-B1 TABLETS CONTAINING AN ANION EXCHANGE RESIN HISAMITSU PHARMACEUTICAL CO (JP) 2002-02-06 EP claimed
EP-0835888-B1 Non-crosslinked anion exchange resin and pharmaceutical composition containing same HISAMITSU PHARMACEUTICAL CO (JP) 2000-05-24 EP claimed
EP-0717056-B1 An aqueous dispersion of an amphoteric water-soluble polymer, a method of manufacturing the same, and a treating agent comprising the same HYMO CORP (JP) 1999-06-23 EP claimed
EP-0855407-A1 Aqueous dispersions based on water soluble polymers ELF ATOCHEM S.A. (FR) 1998-07-29 EP claimed