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SCHEMBL7340923

SCHEMBL7340923

CC(=O)Nc1ccc(C(=O)NC2CCC(=O)N3CCCC(C(=O)NC4CC(=O)OC4OCc4ccccc4)N3C2=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 8/20 0.56
▸ CASP3 P42574 2/20 0.56
▸ CASP8 Q14790 2/20 0.56
▸ LCK P06239 11/20 0.42
▸ IL1B P01584 2/20 0.42
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41

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
SCHEMBL647424 1.00 CASP1 (0.56) CASP1CASP3CASP8LCKIL1B
SCHEMBL647554 0.92 CASP1 (0.61) CASP1CASP3CASP8LCKIL1B
SCHEMBL647610 0.90 CASP1 (0.56) CASP1CASP3CASP8LCKIL1B
SCHEMBL1414799 0.90 CASP1 (0.59) CASP1CASP3CASP8LCKIL1B
SCHEMBL648350 0.90 CASP1 (0.59) CASP1CASP3CASP8LCKIL1B
SCHEMBL644834 0.89 CASP1 (0.57) CASP1CASP3CASP8LCKIL1B
SCHEMBL10200161 0.89 CASP1 (0.57) CASP1CASP3CASP8LCKIL1B
SCHEMBL645040 0.89 CASP1 (0.59) CASP1CASP3CASP8LCKIL1B
SCHEMBL26236631 0.89 CASP1 (0.58) CASP1CASP3CASP8LCKIL1B
SCHEMBL646016 0.89 CASP1 (0.58) CASP1CASP3CASP8LCKIL1B

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-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 — — EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 — — WO disclosed