SCHEMBL7422646

SCHEMBL7422646

O=C(O)CC(NC(=O)CN1C(=O)CCCC1c1ccccc1)C(=O)COC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.58
HCRTR1 O43613 4/20 0.43
HCRTR2 O43614 4/20 0.43

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
SCHEMBL7417591 0.87 CASP1 (0.57) CASP1HCRTR1HCRTR2
Naphthalene SCHEMBL7422654 0.86 CASP1 (0.42) CASP1HCRTR1HCRTR2
SCHEMBL7422343 0.82 CASP1 (0.48) CASP1HCRTR1HCRTR2
SCHEMBL7416469 0.77 CASP1 (0.58) CASP1
SCHEMBL7423367 0.76 CASP1 (0.71) CASP1
SCHEMBL8055411 0.74 CASP1 (1.00) CASP1
SCHEMBL7421508 0.70 CASP1 (0.56) CASP1
SCHEMBL1273314 0.68 CHRM2 (0.50) HCRTR1HCRTR2
SCHEMBL7415071 0.67 CASP1 (0.78) CASP1
SCHEMBL4956568 0.66 NR1H4 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP claimed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO claimed
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP 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