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SCHEMBL8587154

SCHEMBL8587154

CC(=O)OCC(CNC(=O)c1c(I)c(C(=O)Cl)c(I)c(N(C=O)CC(COC(C)=O)OC(C)=O)c1I)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ABCB1 P08183 1/20 0.31

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
SCHEMBL8907037 0.86 LMNA (0.53) LMNACYP2C19HIF1AABCB1
SCHEMBL8905658 0.85 LMNA (0.42) LMNACYP2C19HIF1AABCB1
SCHEMBL9009046 0.81 LMNA (0.35) LMNACYP2C19HIF1AABCB1
SCHEMBL12845800 0.80 LMNA (0.58) LMNACYP2C19HIF1AABCB1
SCHEMBL9526102 0.80 LMNA (0.37) LMNACYP2C19HIF1AABCB1
SCHEMBL9009328 0.79 LMNA (0.38) LMNACYP2C19HIF1AABCB1
SCHEMBL12871722 0.79 LMNA (0.39) LMNACYP2C19HIF1AABCB1
SCHEMBL9761324 0.78 LMNA (0.32) LMNACYP2C19HIF1AABCB1
Malonic Acid SCHEMBL9760401 0.78 LMNA (0.33) LMNACYP2C19HIF1AABCB1
SCHEMBL8763555 0.77 LMNA (0.42) LMNACYP2C19HIF1AABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855997-A4 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 1998-10-07 — — EP disclosed
EP-0855997-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 1998-08-05 — — EP disclosed
WO-1997000240-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1997-01-03 — — WO disclosed