SCHEMBL4785783

SCHEMBL4785783

C=CCc1ccccc1Oc1ccccc1CC=C.O=C(O)CC(C(=O)O)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CXCL8 P10145 2/20 0.38
ADRB2 P07550 5/20 0.38
HTR1A P08908 2/20 0.38
ADRB1 P08588 3/20 0.37
LMNA P02545 2/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL9766403 0.87 KDM4E (0.47) KDM4EALDH1A1ADRB2HTR1AADRB1
SCHEMBL15048641 0.86 KDM4E (0.41) KDM4EALDH1A1ADRB2HTR1AADRB1
2-Allylphenol SCHEMBL1777272 0.84 AKR1B1 (0.41) KDM4EALDH1A1LMNA
SCHEMBL15517555 0.81 TDP1 (0.44) KDM4EALDH1A1LMNACYP1A2TDP1
Sulfuric Acid SCHEMBL1678480 0.81 ICAM1 (0.47) KDM4EICAM1SELEVCAM1ALDH1A1
SCHEMBL2872983 0.81 ICAM1 (0.39) KDM4EICAM1SELEVCAM1ALDH1A1
Ether SCHEMBL4785780 0.80 ALDH1A1 (0.40) KDM4EALDH1A1ADRB2HTR1AADRB1
Ether SCHEMBL5819722 0.80 ADRB2 (0.38) KDM4EALDH1A1ADRB2HTR1AADRB1
2-Allylphenol SCHEMBL21051084 0.80 AKR1B1 (0.35) KDM4EALDH1A1ADRB2HTR1ALMNA
Sulfuric Acid SCHEMBL1074745 0.79 ICAM1 (0.46) KDM4EICAM1SELEVCAM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117488303-A Aluminum alloy surface treatment liquid and preparation method and application thereof 中国机械总院集团武汉材料保护研究所有限公司 2024-02-02 CN claimed
CN-114557896-A Preparation method of anti-dandruff shampoo 梁小龙 2022-05-31 CN claimed
CN-114316939-A Carbon dioxide gas soluble foaming agent suitable for compact reservoir 东北石油大学 2022-04-12 CN claimed
CN-110078871-B Rosin and derivative resin interpenetrating network polymer emulsion thereof, preparation and application thereof in preparation of water-based sound-insulation anticorrosive paint 湖南松本林业科技股份有限公司 2021-10-01 CN claimed
CN-110982007-B LED lamp emulsion and preparation method thereof 上海保立佳新材料有限公司 2021-09-17 CN claimed
CN-110734723-A wood craft strong adhesive and preparation method thereof 安徽阜南县向发工艺品有限公司 2020-01-31 CN claimed
US-8470741-B2 oil-based concentrate which is homogenous for at least 24 hours and which emulsifies readily on dilution into water CRODA AMERICAS LLC (US) 2013-06-25 US claimed
CN-117659289-A Oxazoline modified styrene-acrylic emulsion and preparation method thereof 重庆市化工研究院有限公司 2024-03-08 CN disclosed
CN-117488303-A Aluminum alloy surface treatment liquid and preparation method and application thereof 中国机械总院集团武汉材料保护研究所有限公司 2024-02-02 CN disclosed
CN-117224595-A Double coptis chinensis sterile powder for injection and preparation method thereof 江西中成药业集团有限公司 2023-12-15 CN disclosed
CN-116140067-A Ilmenite sulfur-reducing flotation reagent and preparation method and application thereof 龙佰四川矿冶有限公司 2023-05-23 CN disclosed
CN-114316939-B Carbon dioxide gas soluble foaming agent suitable for compact reservoir 东北石油大学 2022-07-22 CN disclosed
CN-114316939-A Carbon dioxide gas soluble foaming agent suitable for compact reservoir 东北石油大学 2022-04-12 CN disclosed
CN-105985670-A Insulator capable of inhibiting icing 国家电网公司 2016-10-05 CN disclosed
CN-105985671-A Aluminum conductor with icing-preventing coating 国家电网公司 2016-10-05 CN disclosed
CN-104894591-A Mechanical component product surface degreasing agent CHEN ZELIN 2015-09-09 CN disclosed
EP-1951039-A2 AGRICULTURAL ADJUVANT COMPOSITIONS, PESTICIDE COMPOSITIONS, AND METHODS FOR USING SUCH COMPOSITIONS RHODIA INC. (US) 2008-08-06 EP disclosed
WO-2008066611-A2 AGRICULTURAL ADJUVANT COMPOSITIONS. PESTICIDE COMPOSITIONS. AND METHODS FOR USING SUCH COMPOSITIONS RHODIA INC. (US) 2008-06-05 WO disclosed
WO-2007059107-A2 AGRICULTURAL ADJUVANT COMPOSITIONS, PESTICIDE COMPOSITIONS, AND METHODS FOR USING SUCH COMPOSITIONS RHODIA INC. (US) 2007-05-24 WO disclosed
WO-2006081755-A1 WOOD-MODIFYING COMPOSITION AND METHOD FOR ITS PREPARATION, AS WELL AS ITS USES YANG, JUN (CN) 2006-08-10 WO disclosed