SCHEMBL7526302

SCHEMBL7526302

CC(=O)OCC(CNC(=O)c1c(Br)c(NC(=O)COCC(=O)Nc2c(Br)c(C(=O)Cl)c(Br)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2Br)c(Br)c(C(=O)Cl)c1Br)OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7526174 0.95 PKM (0.32) ABCB1LMNA
SCHEMBL7530998 0.93 ABCB1 (0.33) ABCB1
SCHEMBL7523519 0.89 PKM (0.35) ABCB1LMNA
SCHEMBL7523891 0.85 LMNA (0.41) LMNA
SCHEMBL7526872 0.84 GAA (0.34) ABCB1LMNAGAA
SCHEMBL7527984 0.83 ABCB1 (0.34) ABCB1GAA
SCHEMBL7530164 0.82 ABCB1 (0.33) ABCB1
SCHEMBL7527393 0.81 PRKCA (0.35) ABCB1LMNA
SCHEMBL7527890 0.81 GAA (0.33) ABCB1GAA
SCHEMBL7523870 0.81 LMNA (0.42) LMNA

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-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 EP disclosed