SCHEMBL5861522

SCHEMBL5861522

CCCC(C)=C(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FFAR3 O14843 3/20 0.36
TSHR P16473 3/20 0.36
CTSD P07339 1/20 0.36
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CASP2 P42575 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL27821923 1.00 ALDH1A1 (0.39) ALDH1A1CES1CES2HDAC3HDAC1
Ammonia Solution, Strong SCHEMBL6537990 0.98 ALDH1A1 (0.37) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL27756381 0.98 ALDH1A1 (0.37) ALDH1A1CES1CES2HDAC3HDAC1
SCHEMBL15756846 0.86 CES1 (0.43) ALDH1A1CES1CES2TSHREPHX1
SCHEMBL27979792 0.83 CES2 (0.46) ALDH1A1CES1CES2TSHR
SCHEMBL27979916 0.83 CES2 (0.46) ALDH1A1CES1CES2TSHR
SCHEMBL27963351 0.83 CES2 (0.46) ALDH1A1CES1CES2TSHR
Ammonia Solution, Strong SCHEMBL29174118 0.81 CES2 (0.45) ALDH1A1CES1CES2TSHR
Ammonia Solution, Strong SCHEMBL27738107 0.81 CES2 (0.45) ALDH1A1CES1CES2TSHR
Ammonia Solution, Strong SCHEMBL28110504 0.81 CES2 (0.45) ALDH1A1CES1CES2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539328-A Chiral Ugi amine synthesis process promoted by nonionic surfactant 宝鸡文理学院 2022-05-27 CN claimed
CN-103601855-B A kind of molecular engram mono-dispersion microballoon that tobacco-specific nitrosamine is had specific adsorption function and preparation thereof and application 广东中烟工业有限责任公司 2016-08-10 CN claimed
CN-102507515-A Fluorescent ion imprint sensor for detection of cadmium ions and preparation method thereof UNIV ZHEJIANG TECHNOLOGY 2012-06-20 CN claimed
JP-3559040-B2 2004-08-25 JP claimed
EP-0648250-A4 BLENDED POLYOL ESTER LUBRICANTS FOR REFRIGERANT HEAT TRANSFER FLUIDS. HENKEL CORP (US) 1996-11-06 EP claimed
EP-0648250-A1 BLENDED POLYOL ESTER LUBRICANTS FOR REFRIGERANT HEAT TRANSFER FLUIDS HENKEL CORPORATION (US) 1995-04-19 EP claimed
WO-1993024587-A1 BLENDED POLYOL ESTER LUBRICANTS FOR REFRIGERANT HEAT TRANSFER FLUIDS HENKEL CORPORATION (US) 1993-12-09 WO claimed
CN-116981741-A Coating composition, coating film, laminate, and coated article 大金工业株式会社 2023-10-31 CN disclosed
CN-116769364-A Coating composition, coating film, laminated coating film, and coated article 大金氟涂料(上海)有限公司 2023-09-19 CN disclosed
CN-108025115-B Nanoparticles and method for preparing same 上海氪励铵勤科技发展有限公司 2021-04-20 CN disclosed
CN-106552296-B Nano particles, preparation method thereof, calculus removing device and application 上海氪励铵勤科技发展有限公司 2020-08-14 CN disclosed
CN-110964678-A Genetically engineered bacterium for synthesizing farnesene and construction method and application thereof 中国科学院青岛生物能源与过程研究所 2020-04-07 CN disclosed
CN-110016165-A Polyethylene/butadiene rubber alloy material and preparation method thereof 中国石油天然气股份有限公司 2019-07-16 CN disclosed
EP-1424366-A1 AQUEOUS RESIN DISPERSION COMPOSITION Daikin Industries, Ltd. (JP) 2004-06-02 EP disclosed
CN-1501167-A Radiation-sensitive resin composition 住友化学工业株式会社 2004-06-02 CN disclosed
EP-1416024-A1 AQUEOUS DISPERSION TYPE FLUORORESIN COATING COMPOSITION Daikin Industries, Ltd. (JP) 2004-05-06 EP disclosed
WO-2003064479-A1 AQUEOUS RESIN DISPERSION AND METHOD FOR PRODUCING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-07 WO disclosed
EP-1237544-A1 SYSTEM AND METHOD FOR EXTENDED DELIVERY OF A THERAPEUTIC AGENT WITH ITS RECEPTOR LOADING DOSE Trident Technologies, LLC (US) 2002-09-11 EP disclosed
US-20020034534-A1 System and method for delivering a therapeutic agent over an extended period of time in conjuction with a receptor loading dose of the therapeutic agent BARR DEBORAH P (US) 2002-03-21 US disclosed
WO-2001043726-A1 SYSTEM AND METHOD FOR EXTENDED DELIVERY OF A THERAPEUTIC AGENT WITH ITS RECEPTOR LOADING DOSE TRIDENT TECHNOLOGIES, LLC (US) 2001-06-21 WO disclosed