SCHEMBL2912057

SCHEMBL2912057

CC1CC1(Cn1cnc2c(N)ncnc21)OCP(=O)(OCCC(C)(C)C(=O)O)OCOC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.59
SLC22A6 Q4U2R8 2/20 0.59
ABCB11 O95342 1/20 0.59
POLA1 P09884 1/20 0.59
POLG P54098 1/20 0.59
STING1 Q86WV6 7/20 0.38
FGFR1 P11362 2/20 0.37
CYP3A4 P08684 2/20 0.35
ENPP1 P22413 2/20 0.34
P2RY1 P47900 1/20 0.34
NT5E P21589 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4275047 0.93 FAP (0.66) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2912968 0.89 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2913606 0.88 FAP (0.60) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2913633 0.88 FAP (0.62) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2939529 0.85 ABCB11 (0.40) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911461 0.82 FAP (0.56) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2908593 0.81 ABCB11 (0.38) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911836 0.80 FAP (0.69) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL2911837 0.79 FAP (0.49) FAPSLC22A6ABCB11POLA1POLG
SCHEMBL4271570 0.79 FAP (0.69) 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