SCHEMBL7415539

SCHEMBL7415539

CC(=O)Nc1cccn(CC(=O)NC(CC(=O)O)C(=O)COC(=O)C(Cc2ccccc2)Cc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.55
ELANE P08246 5/20 0.47
GZMB P10144 1/20 0.46
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP8 Q14790 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL7416845 0.85 CASP1 (0.56) CASP1ELANEGZMB
SCHEMBL8332177 0.79 CASP1 (0.57) CASP1CASP3CASP8
SCHEMBL647546 0.76 CASP3 (0.57) CASP1ELANECASP3CASP8
SCHEMBL7418563 0.71 CASP3 (0.50) CASP1CASP3CASP7CASP8
SCHEMBL20750648 0.71 CASP1 (0.57) CASP1CASP3CASP8
SCHEMBL10073211 0.71 CASP1 (0.57) CASP1CASP3CASP8
SCHEMBL7422343 0.71 CASP1 (0.48) CASP1CASP3CASP8
SCHEMBL7466002 0.71 CASP1 (0.51) CASP1CASP3CASP8
SCHEMBL7418130 0.70 CASP1 (0.72) CASP1
SCHEMBL2318331 0.69 ELANE (0.48) CASP1ELANEGZMBIL1RNERAP2

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