Sugi Predict

Sugi Predict / Compounds / SCHEMBL7775696

SCHEMBL7775696

SCHEMBL7775696

CC(C)[C@H](NC(=O)c1cc2ccccc2n1CC(=O)OC(C)(C)C)C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 20/20 0.51
▸ CASP6 P55212 20/20 0.51
▸ CASP8 Q14790 20/20 0.51
▸ CASP7 P55210 1/20 0.48

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
SCHEMBL7202086 0.96 CASP3 (0.57) CASP3CASP6CASP8CASP7
SCHEMBL7199733 0.87 CASP3 (0.62) CASP3CASP6CASP8CASP7
SCHEMBL7204508 0.83 CASP3 (0.40) CASP3CASP6CASP8CASP7
SCHEMBL7198658 0.81 CASP3 (0.64) CASP3CASP6CASP8CASP7
SCHEMBL626915 0.78 CASP3 (0.60) CASP3CASP6CASP8CASP7
SCHEMBL10073348 0.78 CASP3 (0.60) CASP3CASP6CASP8CASP7
SCHEMBL4425707 0.78 CASP3 (0.60) CASP3CASP6CASP8CASP7
SCHEMBL627324 0.74 CASP3 (0.71) CASP3CASP6CASP8CASP7
SCHEMBL10073964 0.74 CASP3 (0.71) CASP3CASP6CASP8CASP7
SCHEMBL12567778 0.73 CASP3 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6184244-B1 C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2001-02-06 — — US disclosed