SCHEMBL76963

SCHEMBL76963

CCCCCCCCCCCCCCCCCCNC=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 1.00
ADH1B P00325 4/20 1.00
ADH1A P07327 4/20 1.00
ADH7 P40394 4/20 1.00
ADH1C P00326 3/20 1.00
ADH4 P08319 2/20 1.00
TSHR P16473 3/20 0.55
ALDH1A1 P00352 1/20 0.55
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
S1PR2 O95136 2/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45

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
SCHEMBL303653 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL145544 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL9660807 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL9661679 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL302735 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL9661848 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL58363 1.00
SCHEMBL9658779 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL4879688 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C
SCHEMBL305123 1.00 EPHX1 (1.00) EPHX1ADH1BADH1AADH7ADH1C

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

Appears in 2191 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404896-A1 Styling Shampoo Compositions BASF SE (DE) 2023-12-21 US claimed
EP-4240316-A1 STYLING SHAMPOO COMPOSITIONS BASF SE (DE) 2023-09-13 EP claimed
CN-116367814-A Styling shampoo compositions 巴斯夫欧洲公司 2023-06-30 CN claimed
WO-2022096243-A1 STYLING SHAMPOO COMPOSITIONS BASF SE (DE) 2022-05-12 WO claimed
CN-114405059-A Extraction solvent organic phase for purifying citric acid and method for extracting and separating citric acid 山东金原德丰科技开发有限责任公司 2022-04-29 CN claimed
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
US-20020155962-A1 Nonaqueous hair styling composition and method of use ANDREW JERGENS COMPANY, THE 2002-10-24 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US claimed
US-4845219-A ANTITUMOR, ANTOCOAGULANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-04 US claimed
EP-0225129-B1 PHOSPHOLIPID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-05-24 EP claimed
US-4778912-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-18 US claimed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US claimed
EP-0255366-A2 Nitrogen- and sulfur-containing lipid compound, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-02-03 EP claimed
EP-0094186-B1 GLYCEROL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP claimed
US-4576933-A Method of use of 1-(alkyl for alkylcarbanoyl)-2-carbamoylglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-03-18 US claimed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP claimed
EP-0094186-A1 Glycerol derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 EP claimed