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SCHEMBL9239590

SCHEMBL9239590

CC(=O)OC(C(=O)N(CCO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)C(=O)N(CCO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ EGFR P00533 1/20 0.30
▸ SRC P12931 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
SCHEMBL9238784 0.86 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9513468 0.85 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9234116 0.83 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8373426 0.82 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9012617 0.81 LMNA (0.79) LMNACYP2C19HIF1AEGFRSRC
Ioxilan SCHEMBL8844906 0.80 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL966725 0.80 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
Iohexol SCHEMBL4409596 0.80 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
Ioxilan SCHEMBL25634 0.80 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9735793 0.80 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC

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-0673922-A1 Non-ionic iodinated dimers as X-ray contrast agents, process for their preparation and pharmaceutical compositions containing them CENTRO INVESTIGACION JUSTESA IMAGEN S.A. (ES) 1995-09-27 — — EP disclosed