SCHEMBL4233444

SCHEMBL4233444

O=C(NC1(c2nc(C(=O)O)c(O)c(=O)[nH]2)CCC2(CC1)OCCO2)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 5/20 0.42
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 1/20 0.37
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CTSL P07711 1/20 0.35
GDA Q9Y2T3 1/20 0.35
MAOB P27338 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
SCHEMBL51972 0.91 RNASEH1 (0.42) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL52441 0.78 RNASEH1 (0.45) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL63444 0.77 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL9942868 0.77 RNASEH1 (0.42) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL63358 0.76 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL13691480 0.76 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL51895 0.75 RNASEH1 (0.42) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL2080700 0.75 RNASEH1 (0.42) RNASEH1ALDH1A1TNKSTNKS2
SCHEMBL63522 0.74 RNASEH1 (0.41) RNASEH1ERCC1FEN1ERCC4CTSB
SCHEMBL62555 0.74 RNASEH1 (0.43) RNASEH1ERCC1FEN1ERCC4CTSB

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-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO disclosed