SCHEMBL9039954

SCHEMBL9039954

CC(C)(O/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CN)CS[C@H]12)c1csc(N)n1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.72
▸ PPARG P37231 3/20 0.72
▸ PGR P06401 3/20 0.72
▸ ESR1 P03372 2/20 0.72
▸ TDP1 Q9NUW8 6/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ HTR2C P28335 1/20 0.72
▸ MAPT P10636 3/20 0.69
▸ SLC22A6 Q4U2R8 2/20 0.69
▸ SLC22A8 Q8TCC7 2/20 0.69
▸ SLC22A11 Q9NSA0 2/20 0.69
▸ ALB P02768 1/20 0.69
▸ APEX1 P27695 3/20 0.61
▸ APAF1 O14727 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PLCG1 P19174 1/20 0.61
▸ ABCC2 Q92887 1/20 0.61
▸ SIRT5 Q9NXA8 1/20 0.61

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
SCHEMBL9039966 1.00 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL9692862 0.94 NR1I2 (0.68) NR1I2PPARGPGRESR1TDP1
SCHEMBL11206803 0.94 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL15100223 0.94 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL17122849 0.94 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL15100211 0.94 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL9871538 0.93 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL9871550 0.93 NR1I2 (0.72) NR1I2PPARGPGRESR1TDP1
SCHEMBL9871715 0.93 NR1I2 (0.70) NR1I2PPARGPGRESR1TDP1
SCHEMBL9871705 0.93 NR1I2 (0.70) NR1I2PPARGPGRESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412763-B1 Cephalosporins, processes for their preparation, pharmaceutical compositions containing them and intermediates therefor ZENECA LTD (GB) 1996-07-10 — — EP disclosed
EP-0304155-B1 Cephalosporin compounds, process for their preparation and their pharmaceutical compositions ZENECA PHARMA SA (FR) 1995-11-15 — — EP disclosed
EP-0341948-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1995-01-11 — — EP disclosed
US-5371220-A Bicyclo-heterocyclic intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-06 — — US disclosed
EP-0341990-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1994-11-09 — — EP disclosed
EP-0304158-B1 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them ICI PLC (GB) 1994-06-22 — — EP disclosed
US-5254679-A Containing a quaternized nitrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 — — US disclosed
US-5232918-A Bactericides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 — — US disclosed
US-5219848-A Bactericides ICI PHARMA (FR) 1993-06-15 — — US disclosed
EP-0225182-B1 CEPHALOSPORIN COMPOUNDS ICI PHARMA (FR) 1993-02-10 — — EP disclosed
EP-0341990-A2 Cephalosporins, process for their preparation and pharmaceutical compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-15 — — EP disclosed
EP-0341948-A2 Cephalosporins, process for their preparation and pharmaceutical compositions ZENECA LIMITED (GB) 1989-11-15 — — EP disclosed
US-4855420-A Cephalosporin derivatives ICI PHARMA (FR) 1989-08-08 — — US disclosed
EP-0304155-A2 Cephalosporin compounds, process for their preparation and their pharmaceutical compositions ZENECA Pharma S.A. (FR) 1989-02-22 — — EP disclosed
EP-0304158-A1 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-22 — — EP disclosed
US-4678781-A BACTERICIDAL ANTIBIOTICS ICI PHARMA (FR) 1987-07-07 — — US disclosed
EP-0225182-A2 Cephalosporin compounds ICI PHARMA (FR) 1987-06-10 — — EP disclosed
EP-0187456-A1 Cephalosporin derivatives ICI PHARMA (FR) 1986-07-16 — — EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 — — EP disclosed
EP-0127992-A2 Cephalosporin derivatives ICI PHARMA (FR) 1984-12-12 — — EP disclosed
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