SCHEMBL7434164

SCHEMBL7434164

CC(C)(C)OCc1ccc(CNC(=O)C(O)C(CC(F)(F)F)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
BACE1 P56817 4/20 0.38
PSMB1 P20618 1/20 0.38
TPSAB1 Q15661 2/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PPARA Q07869 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 1/20 0.37
REN P00797 1/20 0.37
PPARG P37231 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL7429906 0.88 CTSK (0.49) CTSSCTSKBACE1ATMREN
SCHEMBL7445430 0.87 BACE1 (0.40) GAACTSSCTSKBACE1CA1
SCHEMBL7431998 0.85 L3MBTL1 (0.46) GAACTSSCTSKBACE1PPARA
SCHEMBL7441219 0.80 POLB (0.46) CTSKATM
SCHEMBL7433454 0.80 CTSK (0.55) GAACTSSCTSKPPARAPPARG
SCHEMBL7438946 0.77 MAPT (0.42) CTSSCTSKPSMB1
SCHEMBL7438051 0.76 CA1 (0.41) GAACTSSCTSKCA1CA2
SCHEMBL17107013 0.76 BACE1 (0.55) CTSSCTSKBACE1
SCHEMBL17107011 0.76 BACE1 (0.55) CTSSCTSKBACE1
SCHEMBL17107008 0.76 BACE1 (0.55) CTSSCTSKBACE1

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