SCHEMBL6159212

SCHEMBL6159212

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCn1c(C)nc2ccccc21)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.37
GAA P10253 2/20 0.37
APAF1 O14727 1/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL6158761 0.84 CASP1 (0.38) CASP1SMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL6161964 0.83 CASP1 (0.54) CASP1SMN1; SMN2HTTLMNATSHR
SCHEMBL6157827 0.79 CASP1 (0.43) CASP1TSHRALDH1A1POLB
SCHEMBL6161919 0.79 CASP1 (0.47) CASP1SMN1; SMN2GAALMNAKDM4E
SCHEMBL6157985 0.79 CASP3 (0.41) CASP1
SCHEMBL6160437 0.78 CASP1 (0.52) CASP1SMN1; SMN2KDM4E
SCHEMBL6157558 0.77 KMT2A (0.48) CASP1LMNATSHRALDH1A1
SCHEMBL7566397 0.76 CASP1 (0.45) CASP1ALDH1A1POLB
SCHEMBL6159833 0.73 CASP1 (0.54) CASP1GAALMNATSHRKDM4E
SCHEMBL6158900 0.70 CASP1 (0.38) CASP1ALDH1A1TP53

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