SCHEMBL14435478

SCHEMBL14435478

C=CCNC(=O)c1c(C)c(NC(=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O)c(C)c(C(=O)Cl)c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PGD P52209 1/20 0.34
ABCB1 P08183 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL711738 0.85 POLB (0.35) POLBMAPK1PGDABCB1TDP1
SCHEMBL14435464 0.83 POLB (0.37) POLBMAPK1PGDTDP1
SCHEMBL14435475 0.79 ALDH1A1 (0.36) TDP1ALDH1A1HPGD
SCHEMBL709956 0.73 LMNA (0.33) ALDH1A1HPGD
SCHEMBL3026389 0.73 POLB (0.42) POLBMAPK1PGDABCB1TDP1
SCHEMBL14435462 0.71
SCHEMBL718786 0.70 POLB (0.34) POLBMAPK1PGDTDP1
SCHEMBL3024600 0.70 LMNA (0.44) POLBMAPK1PGDABCB1TDP1
SCHEMBL711739 0.70 ABCB1 (0.33) POLBMAPK1ABCB1HPGD
SCHEMBL3024742 0.70 POLB (0.40) POLBMAPK1PGDTDP1

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-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed