SCHEMBL2911904

SCHEMBL2911904

Nc1ncnc2c1ncn2CC1(OCP(=O)(OCOC(=O)C2CCCC2)OCC2CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.45
SLC22A6 Q4U2R8 2/20 0.45
ABCB11 O95342 1/20 0.45
POLA1 P09884 1/20 0.45
POLG P54098 1/20 0.45
AHCY P23526 1/20 0.40
FGFR1 P11362 2/20 0.37
METTL3 Q86U44 1/20 0.37
METTL14 Q9HCE5 1/20 0.37
CYP3A4 P08684 1/20 0.36
NSD2 O96028 2/20 0.36
ADCY5 O95622 2/20 0.35
ENPP1 P22413 2/20 0.35
NT5E P21589 1/20 0.35
CHKA P35790 1/20 0.34

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
SCHEMBL4265361 0.95 FAP (0.49) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912509 0.87 FAP (0.32) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2906241 0.81 FAP (0.34) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911836 0.80 FAP (0.69) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912875 0.80 FAP (0.54) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL4968516 0.77 POLB (0.32) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2905475 0.76 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2904496 0.74 FGFR1 (0.61) SLC22A6AHCYFGFR1METTL3METTL14
SCHEMBL13328610 0.74 CYP3A4 (0.50) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912968 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