SCHEMBL2912461

SCHEMBL2912461

COc1nc(N)nc2c1ncn2CC1(OCP(=O)(OCCC(C)(C)C(=O)O)OCOC(=O)C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.43
ABCB11 O95342 1/20 0.43
POLA1 P09884 1/20 0.43
POLG P54098 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 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
SCHEMBL2940381 0.94 FAP (0.43) FAPABCB11POLA1POLGSLC22A6
SCHEMBL4266003 0.93 FAP (0.47) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2906889 0.92 FAP (0.45) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2911837 0.92 FAP (0.49) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2904620 0.91 ABCB11 (0.45) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2911724 0.89 FAP (0.43) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2912615 0.88 FAP (0.43) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2942127 0.87 ABCB11 (0.41) FAPABCB11POLA1POLGSLC22A6
SCHEMBL2912291 0.87 ABCB11 (0.42) FAPABCB11POLA1POLGSLC22A6
SCHEMBL4277116 0.86 FAP (0.47) FAPABCB11POLA1POLGSLC22A6

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