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SCHEMBL8763555

SCHEMBL8763555

CC(=O)OCC(CNC(=O)c1c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(N(C(N)=O)c2c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c1I)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ABCB1 P08183 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1359798 0.84 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8905637 0.84 LMNA (0.54) LMNACYP2C19HIF1AABCB1
SCHEMBL28880448 0.83 LMNA (0.36) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL12845800 0.83 LMNA (0.58) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8377994 0.82 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL24217642 0.82 LMNA (0.41) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8906902 0.82 LMNA (0.43) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL9515975 0.82 ABCB1 (0.37) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL7986029 0.81 LMNA (0.35) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8905658 0.81 LMNA (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 — — EP disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 — — WO disclosed