SCHEMBL13797652

SCHEMBL13797652

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.73
CYP2C19 P33261 1/20 0.73
HIF1A Q16665 1/20 0.73
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
MAP2K1 Q02750 5/20 0.32
MAP2K2 P36507 1/20 0.31
PRKCZ Q05513 1/20 0.31
IARS2 Q9NSE4 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CYP2C9 P11712 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
SCHEMBL14601670 0.92 CYP2C19 (0.86) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20829072 0.91 LMNA (0.76) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL10329899 0.91 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20350848 0.90 LMNA (0.86) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20034186 0.90 LMNA (0.82) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL21164396 0.87 CYP2C19 (0.78) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL24169901 0.87 LMNA (0.73) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL15293708 0.86 CYP2C19 (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL15293707 0.86 LMNA (0.88) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19915482 0.85 CYP2C19 (0.86) 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
WO-2009081169-A2 BIODEGRADABLE CONTRAST AGENTS IOPHARMA TECHNOLOGIES AB (SE) 2009-07-02 WO disclosed