SCHEMBL6158570

SCHEMBL6158570

CCOC1OC(=O)CC1NC(=O)C(CC(=O)NCCc1c[nH]c2cc(F)ccc12)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.49
SPR P35270 2/20 0.42
MTNR1A P48039 3/20 0.39
NOTUM Q6P988 2/20 0.39
MTNR1B P49286 2/20 0.39
MEN1 O00255 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL6157870 0.94 CASP1 (0.56) CASP1SPRMTNR1ANOTUMMTNR1B
SCHEMBL6157542 0.90 MTNR1A (0.49) CASP1MTNR1ANOTUMMTNR1BMEN1
SCHEMBL6159833 0.89 CASP1 (0.54) CASP1MTNR1AMEN1KMT2AMAPK1
SCHEMBL6157421 0.83 CASP1 (0.41) CASP1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7483717 0.76 NOTUM (0.41) SPRMTNR1ANOTUMMTNR1BMEN1
SCHEMBL7483705 0.75 HTR1A (0.40) ACHEBCHEHTR2A
SCHEMBL6157558 0.74 KMT2A (0.48) CASP1MTNR1AMTNR1BKMT2AHPGD
SCHEMBL30952643 0.69 MTNR1A (0.71) SPRMTNR1ANOTUMMTNR1BMEN1
SCHEMBL7487986 0.69 CASP1 (0.55) CASP1MAPK1
SCHEMBL28872473 0.67 SPR (0.62) SPRMTNR1ANOTUMMTNR1BMEN1

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