SCHEMBL7466002

SCHEMBL7466002

O=C(O)CC(NC(=O)CN1CCc2ccccc2C1=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.51
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
CASP3 P42574 3/20 0.44
CASP9 P55211 3/20 0.44
CASP8 Q14790 3/20 0.44
POLB P06746 1/20 0.41
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL7465656 0.82 CASP1 (0.49) CASP1PSMB1PSMB5
SCHEMBL7425682 0.82 CASP1 (0.67) CASP1
SCHEMBL7416469 0.82 CASP1 (0.58) CASP1ITGB3ITGA2BCASP3CASP9
SCHEMBL312343 0.82 ITGB3 (0.51) CASP1ITGB3ITGA2BCASP3CASP9
SCHEMBL8411016 0.82 ITGB3 (0.51) CASP1ITGB3ITGA2BCASP3CASP9
SCHEMBL7382571 0.81 ITGB3 (0.54) ITGB3ITGA2BPOLBALDH1A1
SCHEMBL8057165 0.80 CASP1 (0.57) CASP1ITGB3ITGA2B
SCHEMBL7420894 0.80 ITGB3 (0.52) ITGB3ITGA2BPOLBALDH1A1
SCHEMBL7463690 0.79 CASP1 (0.45) CASP1ITGB3ITGA2BALDH1A1
SCHEMBL7383422 0.79 ITGB3 (0.45) CASP1ITGB3ITGA2BCASP3CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP claimed
CN-1211991-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1999-03-24 CN claimed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO claimed
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
CN-1269722-A Method and composition for modulating responsiveness to corticosteroids BASF AG (DE) 2000-10-11 CN disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
CN-1211991-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1999-03-24 CN disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed