SCHEMBL14601670

SCHEMBL14601670

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

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.86
HIF1A Q16665 1/20 0.86
LMNA P02545 3/20 0.82
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 5/20 0.33
MAP2K2 P36507 1/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL10329899 0.96 LMNA (0.88) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL20034186 0.95 LMNA (0.82) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL20350848 0.95 LMNA (0.86) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL21164396 0.95 CYP2C19 (0.78) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL20829072 0.94 LMNA (0.76) CYP2C19HIF1ALMNAEGFRSRC
SCHEMBL19915482 0.93 CYP2C19 (0.86) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL37920 0.93 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL31722694 0.93 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL26501 0.93 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC
Iohexol SCHEMBL8844889 0.93 CYP2C19 (1.00) CYP2C19HIF1ALMNAEGFRSRC

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
US-9938233-B2 Purification of X-ray contrast agents GE HEALTHCARE AS (NO) 2018-04-10 US disclosed
US-7159463-B2 Sensitive and selective method and device for the detection of trace amounts of a substance M.S. TECH LTD. (IL) 2007-01-09 US disclosed
US-7159463-B2 Sensitive and selective method and device for the detection of trace amounts of a substance M.S. TECH LTD. (IL) 2007-01-09 US disclosed