SCHEMBL6026683

SCHEMBL6026683

COc1ccc(COC(=O)CCC(=O)OCC(COC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)OC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
CTSD P07339 1/20 0.48
CTSK P43235 5/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CTSB P07858 3/20 0.44
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 2/20 0.42
PRTN3 P24158 1/20 0.42
CA5A P35218 1/20 0.42
CAPN1 P07384 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL3726939 0.89 CTSB (0.47) CTSKCTSLCTSSCTSBCA2
SCHEMBL3734336 0.85 HTT (0.48) CTSDCTSKCTSLCTSSCTSB
SCHEMBL3730073 0.85 CTSB (0.49) ATMCTSKCTSLCTSSCTSB
SCHEMBL5996079 0.84 ATM (0.48) ATMCTSDCTSKCTSLCTSS
SCHEMBL3734341 0.83 CTSB (0.49) ATMCTSKCTSLCTSSCTSB
SCHEMBL23750671 0.81 ATM (0.58) ATMCTSDCTSKCTSLCTSS
SCHEMBL3732044 0.81 ATM (0.58) ATMCTSDCTSKCTSLCTSS
SCHEMBL3730341 0.81 CTSB (0.54) ATMCTSKCTSLCTSSCTSB
SCHEMBL3727109 0.81 CTSB (0.54) ATMCTSKCTSLCTSSCTSB
SCHEMBL3731721 0.81 ATM (0.57) ATMCTSDCTSKCTSLCTSS

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
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
EP-1123935-B1 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2005-04-13 EP disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
EP-1123935-A2 3'-Fluorinated guanosine derivatives for the treatment or prophylaxis of HBV or retroviral infections MEDIVIR AB (SE) 2001-08-16 EP disclosed
EP-0988304-B1 NUCLEOSIDES ANALOGUES, SUCH AS ANTIVIRALS INCLUDING INHIBITORS OF RETROVIRAL REVERSE TRANSCRIPTASE AND THE DNA POLYMERASE OF HEPATITIS B VIRUS (HBV) MEDIVIR AB (SE) 2001-05-02 EP disclosed