SCHEMBL6157870

SCHEMBL6157870

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1c[nH]c2ccc(F)cc12)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.56
SPR P35270 3/20 0.49
NOTUM Q6P988 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
KMT2A Q03164 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MPO P05164 7/20 0.42
TRPV1 Q8NER1 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
SCHEMBL6158570 0.94 CASP1 (0.49) CASP1SPRNOTUMMTNR1AMTNR1B
SCHEMBL6159833 0.89 CASP1 (0.54) CASP1MTNR1AMEN1KMT2A
SCHEMBL6157542 0.86 MTNR1A (0.49) CASP1NOTUMMTNR1AMTNR1BMEN1
SCHEMBL6157421 0.83 CASP1 (0.41) CASP1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6157558 0.74 KMT2A (0.48) CASP1MTNR1AMTNR1BKMT2ATRPV1
SCHEMBL2410324 0.70 NOTUM (0.77) CASP1SPRNOTUMMTNR1AMTNR1B
SCHEMBL7483717 0.70 NOTUM (0.41) SPRNOTUMMTNR1AMTNR1BMEN1
SCHEMBL31036033 0.69 MPO (0.75) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL7487986 0.69 CASP1 (0.55) CASP1
SCHEMBL7483705 0.69 HTR1A (0.40) MPO

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