SCHEMBL7532183

SCHEMBL7532183

CC(=O)OCC(CNC(=O)c1c(Br)c(C(=O)N(C)CC(COC(C)=O)OC(C)=O)c(Br)c(N(CCO)C(=O)COCC(=O)N(CCO)c2c(Br)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(Br)c(C(=O)N(C)CC(COC(C)=O)OC(C)=O)c2Br)c1Br)OC(C)=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LMNA P02545 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
SCHEMBL7525129 0.91 LMNA (0.38) LMNA
SCHEMBL7532512 0.85 ABCB1 (0.31)
SCHEMBL7523891 0.82 LMNA (0.41) LMNA
SCHEMBL7526239 0.81 LMNA (0.47) LMNA
SCHEMBL7523870 0.79 LMNA (0.42) LMNA
SCHEMBL7528603 0.79 LMNA (0.39) LMNA
SCHEMBL7524812 0.78 CYP2C19 (0.43) LMNA
SCHEMBL7526879 0.76 ABCB1 (0.33)
SCHEMBL7530116 0.75 LMNA (0.48) LMNA
SCHEMBL7530588 0.74 LMNA (0.53) 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