SCHEMBL7472838

SCHEMBL7472838

O=C(O)CC(NC(=O)CN1CCCN(c2ccccc2)C1=O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.58
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NR2F2 P24468 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7476713 0.85 CASP1 (0.55) CASP1L3MBTL1CASP3CASP6CASP8
SCHEMBL7414034 0.82 CASP1 (0.56) CASP1L3MBTL1CASP3CASP6CASP8
SCHEMBL8057165 0.81 CASP1 (0.57) CASP1L3MBTL1
SCHEMBL7415071 0.79 CASP1 (0.78) CASP1L3MBTL1
SCHEMBL7417016 0.78 CASP1 (0.70) CASP1L3MBTL1CASP3CASP6CASP8
SCHEMBL7417591 0.78 CASP1 (0.57) CASP1L3MBTL1CASP3CASP6CASP8
SCHEMBL7419585 0.77 CASP1 (0.74) CASP1L3MBTL1CASP3CASP6CASP8
SCHEMBL7524627 0.77 CASP1 (0.74) CASP1L3MBTL1
SCHEMBL7416954 0.77 CASP1 (0.68) CASP1L3MBTL1ALDH1A1CASP3CASP6
SCHEMBL7415852 0.76 CASP1 (0.79) CASP1L3MBTL1CASP3CASP6CASP8

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