SCHEMBL5331264

SCHEMBL5331264

C1=C(C2CCCCC2)C(C2CCCCC2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
PRCP P42785 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PTPN1 P18031 2/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
CDC25B P30305 1/20 0.33
HTR2A P28223 6/20 0.32
HTR2C P28335 6/20 0.32
HTR2B P41595 6/20 0.32
HRH3 Q9Y5N1 5/20 0.32
PTGS2 P35354 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GAA P10253 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL8648643 0.98 PTGDR2 (0.33) PTGDR2PRCPIDO1TDO2PTPN1
SCHEMBL15265880 0.95 PTGDR2 (0.30) PTGDR2
SCHEMBL28281441 0.81
SCHEMBL7164210 0.77 PRCP (0.36) PTGDR2PRCPIDO1TDO2HTR2A
Hydrochloric Acid SCHEMBL6889222 0.77 PTGDR2 (0.34) PTGDR2PRCPPTPN1PTPRCPTPRF
SCHEMBL27524770 0.75 PTGDR2 (0.37) PTGDR2PTPN1PTPRCPTPRFCDC25B
Hydrochloric Acid SCHEMBL6890562 0.75 GAA (0.33) PTGDR2GAATDP1KDM4E
SCHEMBL11034548 0.73 HTR2A (0.33) PTGDR2PRCPIDO1TDO2HTR2A
SCHEMBL2806120 0.73 HTR2A (0.33) PRCPIDO1TDO2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6890719 0.72 PTGDR2 (0.33) PTGDR2PTPN1PTPRCPTPRFCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053474-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN claimed
WO-2007088559-A1 PROCESS FOR PRODUCING SUBSTITUTED SULPHOXIDES JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO claimed
CN-109053470-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
CN-109053474-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
CN-109053474-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
CN-109053470-B Flexible diamine monomer, preparation method thereof and application thereof in preparation of polyimide 吉林大学 2020-03-31 CN disclosed
US-10131928-B2 Inositol biotransformation UNIVERSITY COURT OF THE UIVERSITY OF ST ANDREWS (GB) 2018-11-20 US disclosed
US-20160168607-A1 Inositol Biotransformation UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-06-16 US disclosed
EP-3017055-A1 INOSITOL BIOTRANSFORMATION University Court of The University of St Andrews (GB) 2016-05-11 EP disclosed
WO-2015001312-A1 INOSITOL BIOTRANSFORMATION UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2015-01-08 WO disclosed
WO-2007088559-A1 PROCESS FOR PRODUCING SUBSTITUTED SULPHOXIDES JUBILANT ORGANOSYS LIMITED (IN) 2007-08-09 WO disclosed
CN-1328103-A Trigger used for anaerobic adhesive and its anaerobic adhesive GUANGZHOU INST OF CHEMISTRY (CN) 2001-12-26 CN disclosed
US-6232486-B1 PHOSPHATIDYLINOSITOL PHOSPHATE NUTRIMED BIOTECH 2001-05-15 US disclosed
US-5837777-A CATALYTIC ADDITION POLMERIZATION OF ACRYLATE MONOMER, REACTION WITH OTHER MONOMERS FOR MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-11-17 US disclosed
WO-1993007119-A1 NOVEL ANTIMALARIAL PEROXIDES AND PROCESSES FOR THEIR PRODUCTION AND USE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-04-15 WO disclosed
US-4515722-A Phosphatidyl inositol analogs useful as anti-inflammatory/analgesic agents MERCK & CO., INC. (US) 1985-05-07 US disclosed
US-4474806-A Sulfonyl or carbonyl inositol derivatives useful as anti-inflammatory/analgesic agents MERCK & CO., INC. (US) 1984-10-02 US disclosed
US-4183863-A SELENIUM OXIDATION CATALYST UNION CARBIDE CORPORATION (US) 1980-01-15 US disclosed
US-4160769-A HYDROGEN PEROXIDE, SELENIUM COMPOUND CATALYST UNION CARBIDE CORPORATION (US) 1979-07-10 US disclosed
US-4156078-A Process for the synthesis of 3',4'-dideoxykanamycin B and products ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1979-05-22 US disclosed