SCHEMBL1965642

SCHEMBL1965642

COc1ccc(C(OC(c2ccccc2)c2ccccc2)C2CC(n3ccc(NC(=O)OC(C)(C)C)nc3=O)OC2COC(=O)CC(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CACNA1B Q00975 3/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CXCR3 P49682 1/20 0.32
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 4/20 0.31
CDC25B P30305 4/20 0.31
PTPN2 P17706 3/20 0.31
CDC25A P30304 2/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
NT5E P21589 1/20 0.30

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
SCHEMBL835719 0.88 POLB (0.46) POLBABL1RIN1MEN1KMT2A
SCHEMBL838369 0.88 POLB (0.38) POLBABL1RIN1MEN1KMT2A
SCHEMBL10095143 0.83 POLB (0.39) POLBCACNA1BABL1RIN1EGLN2
SCHEMBL10095190 0.81 POLB (0.43) POLBABL1RIN1EGLN2KLK7
SCHEMBL837720 0.81 POLB (0.43) POLBABL1RIN1EGLN2KLK7
SCHEMBL4704897 0.80 POLB (0.38) POLBABL1RIN1NT5EP2RY6
SCHEMBL12197787 0.73 POLB (0.40) POLBABL1RIN1NT5EP2RY6
SCHEMBL837389 0.73 POLB (0.40) POLBABL1RIN1NT5EP2RY6
SCHEMBL837609 0.72 POLB (0.38) POLBCACNA1BABL1RIN1MEN1
SCHEMBL10095196 0.72 POLB (0.39) POLBABL1RIN1NT5EP2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899352-B1 1- [2' , 3' -DIDEOXY-3' C- (HYDROXYMETHYL) - BETA-D-ERYTHRO-PENTOFURANOSYL] CYTOSINE DERIVATIVES AS HIV INHIBITORS MEDIVIR AB (SE) 2011-10-05 EP disclosed
EP-2336135-A2 1-[2',3'-dideoxy-3'c-(hydroxymethyl)- beta-d-erythro-pentofuranosyl]cytosine derivatives as HIV inhibitors Medivir AB (SE) 2011-06-22 EP disclosed