SCHEMBL6840326

SCHEMBL6840326

CC(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BTN3A1 O00481 5/20 0.41
PRKCA P17252 1/20 0.41
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL681950 0.89 PRKCA (0.46) ALDH1A1BTN3A1PRKCAGAAPOLB
SCHEMBL434232 0.82 PRKCA (0.42) ALDH1A1LMNAHSD17B10BTN3A1PRKCA
SCHEMBL13196517 0.81 BTN3A1 (0.39) ALDH1A1BTN3A1PRKCAGAAPOLB
SCHEMBL322669 0.81
SCHEMBL9193532 0.81 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10BTN3A1PRKCA
SCHEMBL203641 0.80 PRKCA (0.41) ALDH1A1BTN3A1PRKCAGAAPOLB
SCHEMBL5780615 0.80 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10PRKCAGAA
SCHEMBL4482845 0.80 GAA (0.46) ALDH1A1BTN3A1PRKCAGAAPOLB
SCHEMBL8716409 0.80 PRKCA (0.41) ALDH1A1BTN3A1PRKCAGAAPOLB
Bis(Pivaloyloxymethyl) Succinate SCHEMBL3123390 0.80 PRKCA (0.41) ALDH1A1BTN3A1PRKCAGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049855-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP claimed
US-4458072-A CEPHALOSPORIN AND OXACEPHALOSPORIN BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1984-07-03 US claimed
EP-0049855-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and intermediates for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-21 EP claimed
CN-115850388-A lncRNA coded anti-cancer peptide AC115619-22AA and application 深圳市人民医院 2023-03-28 CN disclosed
CN-114907490-B Potent bifunctional HIV entry inhibitor and application thereof 中国医学科学院病原生物学研究所 2022-12-09 CN disclosed
CN-114907490-A Potent bifunctional HIV entry inhibitor and application thereof 中国医学科学院病原生物学研究所 2022-08-16 CN disclosed
CN-114456232-A Medicine for inhibiting diet obesity and polypeptide used by same 中国科学院动物研究所 2022-05-10 CN disclosed
CN-113999284-A Cyclic polypeptide for resisting Ebola virus or medicinal salt thereof 中国医学科学院医药生物技术研究所 2022-02-01 CN disclosed
CN-113698460-A Escherichia coli lipid A binding motif PCK and preparation method and application thereof 中国农业科学院饲料研究所 2021-11-26 CN disclosed
CN-111574588-B Polypeptide and application thereof in resisting Ebola virus 中国医学科学院医药生物技术研究所 2021-11-09 CN disclosed
CN-108178786-B anti-HIV polypeptide, long-acting anti-HIV derivative and application thereof 北京工业大学 2021-03-02 CN disclosed
EP-0244637-A1 Starting compounds for 7-acylamino-3-vinylcephalosporanic acid derivatives and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-11-11 EP disclosed
EP-0030630-B1 7-ACYLAMINO-3-VINYLCEPHALOSPORANIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM; THEIR STARTING COMPOUNDS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-04-01 EP disclosed
US-4585860-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 US disclosed
EP-0123024-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 EP disclosed
US-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 US disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 US disclosed
US-4409214-A Including cefixime; antibiotics FUJISAWA PHARMACEUTICAL, CO., LTD. (JP) 1983-10-11 US disclosed
EP-0030630-A2 7-Acylamino-3-vinylcephalosporanic acid derivatives, processes for their preparation, pharmaceutical compositions containing them; their starting compounds and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-24 EP disclosed