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Sugi Predict / Compounds / SCHEMBL7533969

SCHEMBL7533969

SCHEMBL7533969

Cc1c(C(=O)N[C@H](C(=O)NC(CC(=O)O)C(O)COc2c(F)c(F)cc(F)c2F)C(C)C)[nH]c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 0.43
▸ CASP6 P55212 20/20 0.43
▸ CASP8 Q14790 20/20 0.43
▸ CASP7 P55210 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
SCHEMBL7536644 0.91 CASP3 (0.46) CASP3CASP6CASP8CASP7
SCHEMBL5970234 0.86 CASP1 (0.41) CASP3CASP8CASP7
SCHEMBL7539056 0.85 CASP3 (0.62) CASP3CASP6CASP8CASP7
SCHEMBL7535014 0.80 CASP3 (0.41) CASP3CASP6CASP8CASP7
SCHEMBL7204872 0.77 CASP3 (0.44) CASP3CASP6CASP8CASP7
SCHEMBL7201830 0.77 CASP3 (0.45) CASP3CASP6CASP8CASP7
SCHEMBL7538762 0.76 CASP3 (0.64) CASP3CASP6CASP8CASP7
SCHEMBL6755228 0.74 CAPN1 (0.39) CASP3CASP8CASP7
SCHEMBL7199912 0.73 CASP3 (0.45) CASP3CASP6CASP8CASP7
SCHEMBL7199035 0.73 CASP3 (0.45) CASP3CASP6CASP8CASP7

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-1159291-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-12-05 — — EP disclosed
WO-2001000658-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYLCARBONYLDIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2001-01-04 — — WO disclosed