SCHEMBL9514709

SCHEMBL9514709

CC(=O)OCCNC(=O)c1c(I)c(NC(=O)C2COC(C(C)C)OC2)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL9513456 0.88 LMNA (0.45) LMNACYP2C19HIF1A
SCHEMBL9779853 0.88 CNR2 (0.31) LMNA
SCHEMBL10436294 0.81 LMNA (0.38) LMNA
SCHEMBL9516079 0.79 LMNA (0.32) LMNA
SCHEMBL13873464 0.77 LMNA (0.50) LMNACYP2C19HIF1A
SCHEMBL9514706 0.75 LMNA (0.33) LMNA
SCHEMBL17123485 0.75 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL9356976 0.74 LMNA (0.52) LMNACYP2C19HIF1A
SCHEMBL11286320 0.72 LMNA (0.65) LMNACYP2C19HIF1A
SCHEMBL15711358 0.72 LMNA (0.48) LMNACYP2C19HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357467-B1 Non-ionic tri-iodobenzene compounds, and contrast agents containing same GUERBET SA (FR) 1993-12-08 EP disclosed
US-5043152-A Radiography GUERBET S.A. (FR) 1991-08-27 US disclosed
EP-0357467-A1 Non-ionic tri-iodobenzene compounds, and contrast agents containing same GUERBET S.A. (FR) 1990-03-07 EP disclosed