SCHEMBL7417068

SCHEMBL7417068

CC(CC(=O)NCCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.64
HPGD P15428 1/20 0.56
MCL1 Q07820 1/20 0.56
CASP3 P42574 3/20 0.49
CASP6 P55212 2/20 0.49
CASP8 Q14790 2/20 0.49
PTPN1 P18031 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL8059810 0.92 CASP1 (0.62) CASP1HPGDMCL1CASP3CASP6
SCHEMBL7422225 0.88 CASP1 (0.70) CASP1CASP3CASP6CASP8
SCHEMBL7461546 0.85 CASP1 (0.65) CASP1HPGDMCL1CASP3CASP6
SCHEMBL7419508 0.85 CASP1 (0.66) CASP1CASP3CASP6CASP8
SCHEMBL7424920 0.84 CASP1 (0.66) CASP1CASP3CASP6CASP8
SCHEMBL7423266 0.84 CASP1 (0.63) CASP1HPGDMCL1CASP3CASP6
Naphthalene SCHEMBL7417075 0.84 CASP3 (0.51) CASP1HPGDCASP3CASP6CASP8
SCHEMBL7421737 0.83 CASP1 (0.62) CASP1CASP3CASP6CASP8
SCHEMBL7524627 0.83 CASP1 (0.74) CASP1
SCHEMBL7419608 0.83 CASP1 (0.66) CASP1CASP3CASP6CASP8

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