SCHEMBL4554920

SCHEMBL4554920

Cc1cn(C2OC3(COCc4ccccc4)CCC2C3OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.42
HPGD P15428 1/20 0.39

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
SCHEMBL3271976 1.00 TK1 (0.42) TK1HPGD
SCHEMBL4438402 0.95 TK1 (0.41) TK1HPGD
SCHEMBL3272988 0.95 TK1 (0.41) TK1HPGD
SCHEMBL13383034 0.89 TK1 (0.40) TK1HPGD
SCHEMBL23264572 0.86 TK1 (0.41) TK1HPGD
SCHEMBL26738687 0.86 TK1 (0.41) TK1HPGD
SCHEMBL16648604 0.86 TK1 (0.41) TK1HPGD
SCHEMBL20394066 0.86 TK1 (0.43) TK1HPGD
SCHEMBL23264576 0.86 TK1 (0.41) TK1HPGD
SCHEMBL20394019 0.84 TK1 (0.41) TK1HPGD

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-2134736-A1 FIVE- AND SIX-MEMBERED CONFORMATIONALLY LOCKED 2',4'- CARBOCYCLIC RIBO-THYMIDINES FOR THE TREATMENT OF INFECTIONS AND CANCER Chattopadhyaya, Jyoti (SE) 2009-12-23 EP disclosed
WO-2008111908-A1 FIVE- AND SIX-MEMBERED CONFORMATIONALLY LOCKED 2',4'- CARBOCYCLIC RIBO-THYMIDINES FOR THE TREATMENT OF INFECTIONS AND CANCER CHATTOPADHYAYA JYOTI (SE) 2008-09-18 WO disclosed