SCHEMBL8416672

SCHEMBL8416672

CC(=O)OCc1c(I)c(N)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I.NC(=O)c1c(I)c(CO)c(I)c(C(=O)NCC(O)CO)c1I.NC(=O)c1c(I)c(CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL8416191 0.96 LMNA (0.40) LMNACYP2C19HIF1A
SCHEMBL8415077 0.90 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL7587993 0.88 ABCB1 (0.34) LMNACYP2C19HIF1A
SCHEMBL8416195 0.85 LMNA (0.40) LMNACYP2C19HIF1A
SCHEMBL7596538 0.85 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL28880448 0.85 LMNA (0.36) LMNACYP2C19HIF1A
SCHEMBL1359798 0.82 LMNA (0.38) LMNACYP2C19HIF1A
SCHEMBL9515975 0.80 ABCB1 (0.37) LMNACYP2C19HIF1A
SCHEMBL8415078 0.79 LMNA (0.43) LMNACYP2C19HIF1A
SCHEMBL7986029 0.79 LMNA (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 EP disclosed