SCHEMBL7423328

SCHEMBL7423328

NC(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)COC(=O)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 13/20 0.59
NTMT1 Q9BV86 2/20 0.50
TACR1 P25103 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7419961 0.92 CASP1 (0.60) CASP1NTMT1TACR1L3MBTL1CASP3
Naphthalene SCHEMBL8412145 0.83 OPRM1 (0.42) TACR1KMT2A
SCHEMBL7419115 0.82 CASP1 (0.62) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL7413349 0.82 CASP1 (0.62) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL7411833 0.81 CASP1 (0.62) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL7416118 0.81 CASP1 (0.65) CASP1L3MBTL1CASP3ALDH1A1
SCHEMBL8414696 0.79 CASP1 (0.61) CASP1L3MBTL1CASP3MEN1ALDH1A1
SCHEMBL8357170 0.78 NTMT1 (0.56) CASP1NTMT1TACR1CASP3MEN1
SCHEMBL7420312 0.78 CASP1 (0.61) CASP1L3MBTL1CASP3
SCHEMBL7419585 0.78 CASP1 (0.74) CASP1TACR1L3MBTL1CASP3

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