SCHEMBL7415969

SCHEMBL7415969

CC(SCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.47
MME P08473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 2/20 0.46
CASP3 P42574 7/20 0.45
CASP8 Q14790 7/20 0.45
CASP1 P29466 6/20 0.45
CASP7 P55210 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7419759 0.85 ACE (0.50) CASP3CASP8CASP1CASP7
SCHEMBL7411505 0.81 MME (0.45) BIRC2MMELTA4HCASP3CASP8
SCHEMBL7422536 0.81 CASP1 (0.52) BIRC2MMELTA4HCASP3CASP8
SCHEMBL7417678 0.81 MME (0.46) BIRC2MMELTA4HCASP3CASP8
SCHEMBL7418563 0.81 CASP3 (0.50) MMECASP3CASP8CASP1CASP7
SCHEMBL7416752 0.81 CASP1 (0.46) BIRC2MMELTA4HCASP3CASP8
SCHEMBL7414439 0.80 MME (0.43) BIRC2MMELTA4HCASP3CASP8
SCHEMBL8055455 0.79 CASP1 (0.68) CASP3CASP8CASP1CASP6L3MBTL1
SCHEMBL7465728 0.78 MME (0.44) BIRC2MMELTA4HCASP3CASP8
SCHEMBL7421093 0.78 MME (0.44) BIRC2MMELTA4HCASP3CASP8

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