SCHEMBL7419115

SCHEMBL7419115

NC(=O)C1CCCCC1C(=O)NC(CC(=O)O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.62
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 3/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NR2F2 P24468 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42

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
SCHEMBL7413349 0.98 CASP1 (0.62) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL7416118 0.93 CASP1 (0.65) CASP1L3MBTL1CASP3ALDH1A1CASP6
SCHEMBL7420312 0.90 CASP1 (0.61) CASP1L3MBTL1CASP3CASP6CASP8
SCHEMBL8410991 0.89 CASP1 (0.49) CASP1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL8414656 0.87 CASP1 (0.49) CASP1L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL7411833 0.85 CASP1 (0.62) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL8414696 0.84 CASP1 (0.61) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL7423328 0.82 CASP1 (0.59) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL8411506 0.82 CASP1 (0.52) CASP1L3MBTL1CASP3ALDH1A1CASP6
Naphthalene SCHEMBL8412953 0.82 CASP3 (0.48) CASP1CASP3CASP6CASP8

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