SCHEMBL2912968

SCHEMBL2912968

CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3c(N)ncnc32)CC1)OCCC(C)(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.62
SLC22A6 Q4U2R8 2/20 0.62
ABCB11 O95342 1/20 0.62
POLA1 P09884 1/20 0.62
POLG P54098 1/20 0.62
FGFR1 P11362 2/20 0.38
STING1 Q86WV6 3/20 0.38
CYP3A4 P08684 7/20 0.37
ENPP1 P22413 2/20 0.36
NT5E P21589 1/20 0.35
CYP2D6 P10635 6/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL2911836 0.92 FAP (0.69) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911837 0.90 FAP (0.49) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2913633 0.90 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912057 0.89 FAP (0.59) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2905475 0.87 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2906889 0.87 FAP (0.45) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2904620 0.87 ABCB11 (0.45) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912461 0.85 FAP (0.43) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911461 0.85 FAP (0.56) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912291 0.85 ABCB11 (0.42) FAPSLC22A6ABCB11POLA1POLG

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