SCHEMBL7415071

SCHEMBL7415071

O=C(O)C[C@H](NC(=O)Cc1ccccc1)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 18/20 0.78
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL7524627 0.91 CASP1 (0.74) CASP1L3MBTL1
SCHEMBL7417016 0.88 CASP1 (0.70) CASP1L3MBTL1HPGDMCL1
SCHEMBL7413782 0.88 CASP1 (1.00) CASP1
SCHEMBL7419585 0.87 CASP1 (0.74) CASP1L3MBTL1
SCHEMBL7416954 0.87 CASP1 (0.68) CASP1L3MBTL1
SCHEMBL7422083 0.86 CASP1 (0.65) CASP1L3MBTL1HPGD
SCHEMBL7415852 0.86 CASP1 (0.79) CASP1L3MBTL1
SCHEMBL7414947 0.86 CASP1 (0.67) CASP1L3MBTL1HPGDMCL1
SCHEMBL7409686 0.86 CASP1 (0.67) CASP1L3MBTL1
SCHEMBL7422225 0.84 CASP1 (0.70) CASP1L3MBTL1

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