SCHEMBL7426593

SCHEMBL7426593

C/C=C/CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.68
ACE P12821 1/20 0.46
CTSS P25774 6/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARD Q03181 2/20 0.42
CAPN1 P07384 1/20 0.41
IDO1 P14902 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
SCHEMBL7424969 1.00 CTSK (0.68) CTSKACECTSSCA1CA2
SCHEMBL7425896 1.00 CTSK (0.68) CTSKACECTSSCA1CA2
SCHEMBL1433273 1.00 CTSK (0.68) CTSKACECTSSCA1CA2
SCHEMBL17870451 0.92 CTSK (0.55) CTSKACECTSSCA1CA2
SCHEMBL14242024 0.92 CTSK (0.55) CTSKACECTSSCA1CA2
SCHEMBL17870454 0.92 CTSK (0.55) CTSKACECTSSCA1CA2
SCHEMBL5967025 0.89 CTSK (0.58) CTSKACECTSSCA1CA2
SCHEMBL19003825 0.86 CTSK (0.50) CTSKACECTSSCA1CA2
SCHEMBL22412573 0.86 CTSK (0.50) CTSKACECTSSCA1CA2
SCHEMBL22412574 0.86 CTSK (0.50) CTSKACECTSSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751124-B1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 WO disclosed