SCHEMBL598692

SCHEMBL598692

COc1ccc(C(=O)[C@]2(n3cc(F)c(N)nc3=O)CC[C@@H](CO)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCK P27707 2/20 0.42
ALB P02768 1/20 0.35
BACE1 P56817 5/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CTSE P14091 2/20 0.33
EP300 Q09472 1/20 0.33
SSTR5 P35346 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL597961 0.91 ALB (0.37) DCKALBEP300
SCHEMBL597543 0.90 DCK (0.40) DCKALBMAPTEP300SSTR5
SCHEMBL597971 0.89 ALB (0.35) DCKALBEP300
SCHEMBL598529 0.89 ALB (0.36) DCKALBEP300
SCHEMBL598445 0.89 DCK (0.38) DCKALBEP300
SCHEMBL598982 0.89 DCK (0.41) DCKALBMAPTEP300
SCHEMBL597942 0.88 ALB (0.35) DCKALBLMNAMAPTTHRB
SCHEMBL4585346 0.83 ALB (0.37) DCKALBTHRB
SCHEMBL597288 0.82 DCK (0.45) DCKALB
SCHEMBL597929 0.82 DCK (0.40) DCKALB

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-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed