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SCHEMBL11207689

SCHEMBL11207689

CN(CC(O)CO)C(=O)c1c(I)c(N)c(I)c(C(=O)N(C)CC(O)CO)c1I.CN(CC(O)CO)C(=O)c1c(I)c(N)c(I)c(C(=O)N(C)CC(O)CO)c1I.O=C(O)CC[Se]CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TYMP P19971 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
Adipic Acid SCHEMBL11497321 0.89 LMNA (0.44) LMNACYP2C19HIF1ATYMP
SCHEMBL681515 0.87 LMNA (0.50) LMNACYP2C19HIF1ATYMP
SCHEMBL11209816 0.87 LMNA (0.43) LMNACYP2C19HIF1ATYMP
Malonic Acid SCHEMBL11132766 0.86 LMNA (0.48) LMNACYP2C19HIF1ATYMP
E388 SCHEMBL11174988 0.86 LMNA (0.42) LMNACYP2C19HIF1ATYMP
SCHEMBL9843094 0.84 LMNA (0.46) LMNACYP2C19HIF1ATYMP
SCHEMBL11202227 0.83 LMNA (0.43) LMNACYP2C19HIF1ATYMP
SCHEMBL11205376 0.83 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL11198138 0.82 LMNA (0.44) LMNACYP2C19HIF1A
SCHEMBL11205632 0.81 LMNA (0.42) LMNACYP2C19HIF1ATYMP

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
US-4367216-A X-RAYS, CONTRAST, OPACITY SCHERING AKTIENGESELLSCHAFT (DE) 1983-01-04 — — US disclosed