SCHEMBL9702755

SCHEMBL9702755

Cc1cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](CO)O2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.48
TK1 P04183 5/20 0.42
TK2 O00142 3/20 0.42
PDE4D Q08499 3/20 0.41
GYPA P02724 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38

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
SCHEMBL13415582 0.88 CTSV (0.39) RNASE1TK1CTSVCTSLCTSB
SCHEMBL26233706 0.87 RNASE1 (0.41) RNASE1TK1TK2
SCHEMBL13396012 0.87 CTSV (0.38) RNASE1TK1TK2CTSVCTSL
SCHEMBL2056807 0.86 TK1 (0.44) RNASE1TK1TK2
SCHEMBL21564054 0.86 TK1 (0.44) RNASE1TK1TK2
SCHEMBL6363668 0.85 RNASE1 (0.45) RNASE1TK1TK2PDE4DGYPA
SCHEMBL7975895 0.82 RNASE1 (0.50) RNASE1TK1TK2PDE4D
SCHEMBL26233701 0.81 TK1 (0.43) TK1
SCHEMBL31355237 0.80 RNASE1 (0.72) RNASE1TK1TK2
SCHEMBL7788368 0.80 PDE4D (0.45) RNASE1TK1TK2PDE4D

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
WO-1992013869-A1 METHYLENE PHOSPHONATE NUCLEOSIDE ANALOGS AND OLIGONUCLEOTIDE ANALOGS MADE THEREFROM GILEAD SCIENCES, INC. (US) 1992-08-20 WO disclosed