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Sugi Predict / Compounds / SCHEMBL7429906

SCHEMBL7429906

SCHEMBL7429906

CC(C)(C)OC(=O)NC(CC(F)(F)F)C(O)C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.49
▸ ATM Q13315 1/20 0.49
▸ BACE1 P56817 11/20 0.48
▸ CTSS P25774 3/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ REN P00797 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.45

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
SCHEMBL7445430 0.88 BACE1 (0.40) CTSKATMBACE1CTSS
SCHEMBL7434164 0.88 GAA (0.40) CTSKATMBACE1CTSSREN
SCHEMBL16463143 0.87 ATM (0.58) CTSKATMBACE1CTSSCTSL
SCHEMBL5457816 0.87 CTSK (0.55) CTSKATMBACE1CTSSCTSL
SCHEMBL17097354 0.87 ATM (0.58) CTSKATMBACE1CTSSCTSL
SCHEMBL5457812 0.87 CTSK (0.55) CTSKATMBACE1CTSSCTSL
SCHEMBL16482788 0.87 ATM (0.58) CTSKATMBACE1CTSSCTSL
SCHEMBL17107013 0.87 BACE1 (0.55) CTSKBACE1CTSSCTSLCTSB
SCHEMBL7441219 0.87 POLB (0.46) CTSKATM
SCHEMBL17107011 0.87 BACE1 (0.55) CTSKBACE1CTSSCTSLCTSB

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-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 — — US disclosed