SCHEMBL6161964

SCHEMBL6161964

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCn1ccc2ccccc21)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.54
MAPK1 P28482 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 4/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 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
SCHEMBL7487986 0.86 CASP1 (0.55) CASP1MAPK1SMN1; SMN2HTT
SCHEMBL6158761 0.86 CASP1 (0.38) CASP1HSD17B10SMN1; SMN2MAPTTSHR
SCHEMBL6159212 0.83 CASP1 (0.55) CASP1SMN1; SMN2LMNATP53TSHR
SCHEMBL6157827 0.81 CASP1 (0.43) CASP1HPGDTSHRALDH1A1MEN1
SCHEMBL6161919 0.81 CASP1 (0.47) CASP1HSD17B10HPGDSMN1; SMN2LMNA
SCHEMBL6157985 0.81 CASP3 (0.41) CASP1
SCHEMBL6160437 0.80 CASP1 (0.52) CASP1MTNR1AMTNR1BSMN1; SMN2NPC1
SCHEMBL6157558 0.79 KMT2A (0.48) CASP1CYP2C19MTNR1AMTNR1BHPGD
SCHEMBL7566397 0.78 CASP1 (0.45) CASP1MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL6159833 0.75 CASP1 (0.54) CASP1MAPK1CYP1A2CYP3A4CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP claimed
EP-1082127-B1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1BETA CONVERTING ENZYME WARNER LAMBERT CO (US) 2005-06-22 EP disclosed
EP-1082127-A4 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER LAMBERT CO (US) 2002-10-09 EP disclosed
EP-1082127-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999056765-A1 SUCCINAMIDE INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-11-11 WO disclosed