SCHEMBL6159833

SCHEMBL6159833

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1c[nH]c2ccccc12)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.54
MTNR1A P48039 4/20 0.48
AANAT Q16613 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6158570 0.89 CASP1 (0.49) CASP1MTNR1AMEN1KMT2AMAPK1
SCHEMBL6157870 0.89 CASP1 (0.56) CASP1MTNR1AMEN1KMT2A
SCHEMBL6157542 0.89 MTNR1A (0.49) CASP1MTNR1AMEN1KMT2AMAPT
SCHEMBL6157421 0.88 CASP1 (0.41) CASP1MTNR1AMEN1KMT2AMAPT
SCHEMBL6157558 0.80 KMT2A (0.48) CASP1MTNR1AKMT2ATSHRMAPT
SCHEMBL7487986 0.74 CASP1 (0.55) CASP1MAPK1GAA
SCHEMBL2824958 0.70 AANAT (0.67) CASP1MTNR1AAANATMEN1KMT2A
SCHEMBL10575207 0.69 MEN1 (0.68) CASP1MTNR1AAANATMEN1KMT2A
SCHEMBL13560942 0.69 MEN1 (0.66) CASP1MTNR1AAANATMEN1KMT2A
SCHEMBL761155 0.68 MTNR1A (0.76) MTNR1AAANATMEN1KMT2ATSHR

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 2 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