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SCHEMBL8379840

SCHEMBL8379840

CC(=O)OCC(CNC(=O)c1c(I)c(NC(=O)Nc2c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.39
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ABCB1 P08183 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ AR P10275 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
SCHEMBL3046706 0.93 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL17124727 0.93 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL7594756 0.92 LMNA (0.36) LMNACYP2C19HIF1AABCB1
SCHEMBL8378374 0.92 LMNA (0.34) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8741511 0.91 LMNA (0.39) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8380655 0.91 LMNA (0.42) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8377994 0.90 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL12871782 0.89 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL7056140 0.89 LMNA (0.46) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8905997 0.88 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1

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-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 — — EP disclosed