SCHEMBL2911461

SCHEMBL2911461

CC(CP(=O)(OCCC(C)(C)C(=O)O)OCOC(=O)C(C)(C)C)C1(Cn2cnc3c(N)ncnc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.56
SLC22A6 Q4U2R8 2/20 0.56
ABCB11 O95342 1/20 0.56
POLA1 P09884 1/20 0.56
POLG P54098 1/20 0.56
CYP3A4 P08684 8/20 0.38
STING1 Q86WV6 3/20 0.37
CYP2D6 P10635 6/20 0.36
ALDH1A1 P00352 1/20 0.35
FGFR1 P11362 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ENPP1 P22413 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
SCHEMBL5942289 0.92 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2907718 0.88 FAP (0.58) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912968 0.85 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2913633 0.82 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912057 0.82 FAP (0.59) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911836 0.76 FAP (0.69) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911837 0.76 FAP (0.49) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL5942564 0.75 FAP (0.64) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911598 0.74 CYP3A4 (0.55) SLC22A6CYP3A4CYP2D6ALDH1A1FGFR1
SCHEMBL2905475 0.74 FAP (0.62) 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