SCHEMBL9208980

SCHEMBL9208980

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
IDO1 P14902 2/20 0.53
RAB9A P51151 2/20 0.52
AKR1C3 P42330 1/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 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 0.92 HTR2A (0.62) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL11000854 0.88 HTR2A (0.53) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6645015 0.85 RAB9A (0.61) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL9676749 0.85 HTR2A (0.57) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL4725847 0.85 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL1029307 0.85 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL6141153 0.84 HTR2A (0.59) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL10949489 0.84 HTR2A (0.56) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL161797 0.83 HTR2A (0.55) HTR2AIDO1RAB9AAKR1C3HTT
SCHEMBL10639376 0.83 HTR2A (0.54) HTR2AIDO1RAB9AAKR1C3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126587-B1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMA (JP) 1995-04-19 EP disclosed
US-5089489-A Enzyme inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-02-18 US disclosed
US-4954493-A ENZYME INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1990-09-04 US disclosed
EP-0131374-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PENEM DERIVATIVES PFIZER INC. (US) 1988-11-23 EP disclosed
US-4619783-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US disclosed
US-4539152-A INTERMEDIATES FOR THIENAMYCIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-03 US disclosed
EP-0131374-A1 Process and intermediates for the preparation of penem derivatives PFIZER INC. (US) 1985-01-16 EP 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-0089139-A2 Antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1983-09-21 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-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