SCHEMBL7416469

SCHEMBL7416469

O=C(O)CC(NC(=O)CN1CCc2ccccc2C1=O)C(=O)COC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.58
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CASP3 P42574 1/20 0.40
CASP9 P55211 1/20 0.40
CASP8 Q14790 1/20 0.40

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
SCHEMBL8057165 0.87 CASP1 (0.57) CASP1ITGB3ITGA2B
SCHEMBL7421508 0.85 CASP1 (0.56) CASP1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7466002 0.82 CASP1 (0.51) CASP1ITGB3ITGA2BCASP3CASP9
SCHEMBL7425682 0.79 CASP1 (0.67) CASP1
SCHEMBL8411016 0.78 ITGB3 (0.51) CASP1ITGB3ITGA2BCASP3CASP9
SCHEMBL312343 0.78 ITGB3 (0.51) CASP1ITGB3ITGA2BCASP3CASP9
SCHEMBL7382571 0.78 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7422646 0.77 CASP1 (0.58) CASP1
SCHEMBL7420894 0.76 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7423367 0.76 CASP1 (0.71) CASP1

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 5 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
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
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed