SCHEMBL7422343

SCHEMBL7422343

O=C(O)CC(NC(=O)CN1C(=O)CCCC1c1ccccc1)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.48
CAPN1 P07384 1/20 0.45
CASP3 P42574 2/20 0.40
CASP9 P55211 2/20 0.40
CASP8 Q14790 2/20 0.40
LMNA P02545 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 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
Naphthalene SCHEMBL7422654 0.85 CASP1 (0.42) CASP1CAPN1CASP3CASP9CASP8
SCHEMBL7422646 0.82 CASP1 (0.58) CASP1HCRTR1HCRTR2
SCHEMBL7417591 0.80 CASP1 (0.57) CASP1CASP3CASP8HCRTR1HCRTR2
SCHEMBL7466002 0.75 CASP1 (0.51) CASP1CASP3CASP9CASP8LMNA
SCHEMBL7463690 0.72 CASP1 (0.45) CASP1
SCHEMBL7418130 0.71 CASP1 (0.72) CASP1
SCHEMBL1273314 0.71 CHRM2 (0.50) HCRTR1HCRTR2
SCHEMBL7415539 0.71 CASP1 (0.55) CASP1CASP3CASP8
SCHEMBL7413795 0.67 CASP1 (0.74) CASP1
SCHEMBL7465656 0.67 CASP1 (0.49) 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 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