SCHEMBL2908593

SCHEMBL2908593

COc1ccc(Sc2nc(N)nc3c2ncn3CC2(OCP(=O)(OCCC(C)(C)C(=O)O)OCOC(=O)C(C)(C)C)CC2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
POLA1 P09884 1/20 0.38
POLG P54098 1/20 0.38
FAP Q12884 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL2910744 0.94 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4973668 0.91 ABCB11 (0.37) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2908647 0.85 ABCB11 (0.39) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2908325 0.84 FAP (0.42) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2939529 0.82 ABCB11 (0.40) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2906962 0.81 ABCB11 (0.36) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912057 0.81 FAP (0.59) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL3290816 0.81 HSP90AA1 (0.36)
SCHEMBL13269227 0.80 SLC22A6 (0.59) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912951 0.79 FAP (0.47) ABCB11POLA1POLGFAPSLC22A6

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
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed