SCHEMBL7416845

SCHEMBL7416845

CC(=O)Nc1cccn(CC(=O)NC(CC(=O)O)C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 12/20 0.56
GZMB P10144 1/20 0.48
ELANE P08246 6/20 0.48
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 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
SCHEMBL7415539 0.85 CASP1 (0.55) CASP1GZMBELANE
SCHEMBL8332177 0.80 CASP1 (0.57) CASP1
SCHEMBL647546 0.73 CASP3 (0.57) CASP1ELANE
SCHEMBL7409814 0.72 CASP1 (0.62) CASP1MAPT
SCHEMBL10073211 0.72 CASP1 (0.57) CASP1
SCHEMBL20750648 0.72 CASP1 (0.57) CASP1
SCHEMBL7417111 0.70 CASP1 (0.59) CASP1MAPT
SCHEMBL10072700 0.69 SMN1; SMN2 (0.55) CASP1GZMBELANEMAPT
SCHEMBL7275671 0.68 PKM (0.54) GZMBELANEMAPT
SCHEMBL8043992 0.68 CASP1 (1.00) 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