SCHEMBL2904620

SCHEMBL2904620

CC(C)(C)C(=O)OCOP(=O)(COC1(Cn2cnc3c(Cl)nc(N)nc32)CC1)OCCC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
POLA1 P09884 1/20 0.45
POLG P54098 1/20 0.45
FAP Q12884 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
HDAC6 Q9UBN7 6/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC4 P56524 1/20 0.34
HSP90AB1 P08238 12/20 0.33
HSP90AA1 P07900 11/20 0.33
HDAC2 Q92769 1/20 0.32
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31

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
SCHEMBL2911837 0.93 FAP (0.49) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2906889 0.93 FAP (0.45) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL4271082 0.92 ABCB11 (0.49) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912461 0.91 FAP (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2911724 0.91 FAP (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2940381 0.91 FAP (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2942127 0.88 ABCB11 (0.41) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912291 0.88 ABCB11 (0.42) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2910965 0.88 ABCB11 (0.44) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL2912968 0.87 FAP (0.62) ABCB11POLA1POLGFAPSLC22A6

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