SCHEMBL8530085

SCHEMBL8530085

C[CH]OC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.56
▸ HTT P42858 2/20 0.50
▸ IDO1 P14902 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL37664 0.85 HTR2A (0.62) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL11199220 0.85 HTR2A (0.54) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL27669847 0.85 HTR2A (0.53) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL11204684 0.83 HTR2A (0.52) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL6141208 0.83 HTR2A (0.64) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL1029307 0.82 HTR2A (0.59) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL4725847 0.82 HTR2A (0.59) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL9669560 0.81 IDO1 (0.53) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL6141153 0.81 HTR2A (0.59) HTR2AHTTIDO1RAB9AALDH1A1
SCHEMBL10801165 0.80 HTR2A (0.58) HTR2AHTTIDO1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4639441-A ANTIBACTERIAL PENICILLINS SANKYO COMPANY LIMITED (JP) 1987-01-27 — — US claimed
US-4383945-A 4-Substituted-2-oxoazetidine compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-17 — — US claimed
EP-0073451-A2 Carbapenam compound and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-09 — — EP claimed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 — — US claimed
EP-0504612-B1 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID CO (US) 1998-01-21 — — EP disclosed
US-5700930-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-12-23 — — US disclosed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 — — US disclosed
EP-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 — — EP disclosed
US-5371215-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1994-12-06 — — US disclosed
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 — — EP disclosed
US-5189158-A 4-SUBSTITUTED AZETIDINONES AS PRECURSORS TO 2-SUBSTITUTED-3-CARBOXY CARBAPENEM ANTIBIOTICS AND A METHOD OF PRODUCING THEM AMERICAN CYANAMID COMPANY (US) 1993-02-23 — — US disclosed
EP-0504612-A2 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-09-23 — — EP disclosed
US-4482565-A β-Lactam-containing antibacterial agents and β-lactamase inhibitors FARMITALIA CARLO ERBA S.P.A. (IT) 1984-11-13 — — US disclosed
EP-0033209-B1 BETA-LACTAM CONTAINING COMPOUNDS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1984-06-13 — — EP disclosed
US-4446146-A β-Lactam containing compounds, their preparation and use BEECHAM GROUP LIMITED (GB) 1984-05-01 — — US disclosed
US-4428961-A THIENAMYCIN ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1984-01-31 — — US disclosed
EP-0089139-A2 Antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1983-09-21 — — EP disclosed
US-4395418-A 6-HYDROXYETHYL SUBSTITUTED ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1983-07-26 — — US disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 — — EP disclosed
EP-0033209-A1 Beta-lactam containing compounds, their preparation and use BEECHAM GROUP PLC (GB) 1981-08-05 — — EP disclosed
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