Sugi Predict

Sugi Predict / Compounds / SCHEMBL6558467

SCHEMBL6558467

SCHEMBL6558467

CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N(C)C)C(=O)NC(C)C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CASP8 Q14790 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6558839 0.84 PSENEN (0.36) CASP3
SCHEMBL6558456 0.82 PSENEN (0.37) —
SCHEMBL6558459 0.80 ADAM17 (0.35) —
SCHEMBL6558973 0.80 PSENEN (0.36) CASP3
SCHEMBL6558475 0.77 PSENEN (0.32) CASP3
SCHEMBL6558461 0.74 RRM1 (0.33) —
SCHEMBL6560428 0.73 — —
SCHEMBL8001329 0.73 CAPN1 (0.35) MEN1KMT2A
SCHEMBL6558875 0.73 CASP1 (0.42) CASP3CASP8
SCHEMBL6558747 0.72 BACE1 (0.42) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 — — EP claimed
EP-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 — — EP disclosed
US-6291640-B1 OLIGOPEPTIDES; SOLID PHASE SYNTHESIS BOEHRINGER INGELHEIM LTD. (CA) 2001-09-18 — — US disclosed