SCHEMBL9520356

SCHEMBL9520356

[CH2]CC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
IDO1 P14902 2/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 1/20 0.53
AKR1C3 P42330 1/20 0.53
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL11043580 0.87 RAB9A (0.59) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL1555636 0.86 ALDH1A1 (0.59) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL7729899 0.85 ALDH1A1 (0.58) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL5235557 0.85 IDO1 (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL11383154 0.84 RAB9A (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL11040897 0.84 RAB9A (0.55) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL6141237 0.83 ALDH1A1 (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
Water SCHEMBL8424505 0.83 RAB9A (0.54) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL11094410 0.83 ALDH1A1 (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL15388876 0.83 RAB9A (0.61) RAB9AIDO1ALDH1A1MAPTAKR1C3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
EP-0237027-B1 6-(DISUBSTITUTED AMINO) CARBAPENAM COMPOUNDS Sanraku Incorporated (JP) 1992-06-10 EP disclosed
US-4996314-A 6-(disubstituted amino)carbapenem compounds SANRAKU INCORPORATED (JP) 1991-02-26 US disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed
US-4820815-A USEFUL AS ANTIBACTERIALS OR TO FORM FUSED BICYCLIC B-LACTAM ANTIBIOTICS LIKE CARBAPENEMS UNIVERSITY OF NOTRE DAME DU LAC (US) 1989-04-11 US disclosed
US-4812563-A ANTIBIOTICS SANRAKU INCORPORATED (JP) 1989-03-14 US disclosed
EP-0306266-A1 Azetidinone n-phosphonomethyl esters THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1989-03-08 EP disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
EP-0237027-A2 6-(Disubstituted amino) carbapenam compounds Sanraku Incorporated (JP) 1987-09-16 EP disclosed
US-4539152-A INTERMEDIATES FOR THIENAMYCIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-03 US disclosed
EP-0035689-B1 4-SUBSTITUTED-2-OXOAZETIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE FOR PREPARING ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-19 EP disclosed
EP-0040408-B1 BETA-LACTAM COMPOUNDS AND PROCESS FOR PRODUCTION THEREOF SANRAKU-OCEAN CO., LTD. (JP) 1984-08-29 EP disclosed
EP-0105227-A1 Process for producing beta-lactam compounds, and intermediates useful for their production Sanraku Incorporated (JP) 1984-04-11 EP disclosed
US-4383945-A 4-Substituted-2-oxoazetidine compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-17 US disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 EP disclosed
EP-0035689-A1 4-Substituted-2-oxoazetidine compounds, processes for their preparation, and their use for preparing antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-16 EP disclosed