SCHEMBL7473984

SCHEMBL7473984

CC(C)C(NC(=O)CCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)CC1CCc2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 11/20 0.45
CASP3 P42574 14/20 0.42
CASP8 Q14790 10/20 0.42
CASP7 P55210 5/20 0.42
CASP6 P55212 3/20 0.41

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
SCHEMBL7418639 0.89 CASP3 (0.42) CASP1CASP3CASP8CASP7CASP6
SCHEMBL8055976 0.82 CASP1 (0.43) CASP1
SCHEMBL8044063 0.79 CASP1 (0.41) CASP1CASP3CASP8CASP6
SCHEMBL7418627 0.78 CASP1 (0.53) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7463690 0.75 CASP1 (0.45) CASP1
Naphthalene SCHEMBL7422490 0.74 CASP1 (0.40) CASP1
SCHEMBL7404425 0.74 CASP1 (0.56) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7277266 0.72 CASP1 (0.64) CASP1CASP3CASP8CASP7CASP6
SCHEMBL7422485 0.71 CASP1 (0.57) CASP1CASP3CASP8CASP6
SCHEMBL7286999 0.71 CASP1 (0.62) CASP1CASP3CASP8CASP7CASP6

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