SCHEMBL3973128

SCHEMBL3973128

F[CH]CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
GPR52 Q9Y2T5 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
KCNH2 Q12809 1/20 0.41
CALM1 P0DP23 1/20 0.41

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
SCHEMBL4890477 0.85 SIGMAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4890467 0.83 MAOA (0.52) ALOX15HTR2AL3MBTL1MAOBMAOA
SCHEMBL4889046 0.81 SIGMAR1 (0.52) L3MBTL1MAOBMAOA
SCHEMBL9715286 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762166 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL205556 0.78 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762164 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL49747 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1157215 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL10381479 0.74 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115380211-A Refining process and refined product 日本水产株式会社 2022-11-22 CN claimed
US-5977116-A Piperazine, piperidine and tetrahydropyridine derivatives MERCK SHARP & DOHME LTD. (GB) 1999-11-02 US claimed
US-5461074-A Dipropargyl containing aryl/alkyl sulfur/or sulfonyl/or sulfoxide terminated aminodiol compounds are used as renin inhibitor; therpeutical G.D. SEARLE & CO. (US) 1995-10-24 US claimed
US-5317039-A Renin inhibitors with peptides G. D. SEARLE & CO. (US) 1994-05-31 US claimed
US-5314920-A Renin inhibitors G. D. SEARLE & CO. (US) 1994-05-24 US claimed
US-5312838-A β-alanineamide aryl/alkylsulfide/sulfonyl-terminated amino-diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1994-05-17 US claimed
US-5268391-A Cardiovascular disorders C. D. SEARLE & CO. (US) 1993-12-07 US claimed
US-5246969-A Oligopeptides as renin inhibitors G. D. SEARLE & CO. (US) 1993-09-21 US claimed
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 WO disclosed
CN-116830317-A Positive electrode slurry and secondary battery prepared from same 宁德时代新能源科技股份有限公司 2023-09-29 CN disclosed
CN-116589494-A Magnesium/calcium borate, and preparation method and application thereof 浙江大学杭州国际科创中心 2023-08-15 CN disclosed
WO-2023097432-A1 POSITIVE ELECTRODE SLURRY, AND SECONDARY BATTERY PREPARED THEREFROM 宁德时代新能源科技股份有限公司 2023-06-08 WO disclosed
CN-115380211-A Refining process and refined product 日本水产株式会社 2022-11-22 CN disclosed
US-9780409-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-03 US disclosed
EP-0126859-A1 Intermediate compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-05 EP disclosed
US-4420477-A ANTIBIOTICS, BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-13 US disclosed
EP-0095029-A1 5-Thio-tetrazol compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-30 EP disclosed
US-4405617-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-20 US disclosed
EP-0033965-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-19 EP disclosed
EP-0029998-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 EP disclosed