SCHEMBL9717831

SCHEMBL9717831

CCOC(=O)C(CC)OC(=O)c1c(I)cc(I)c(N)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 2/20 0.33
AR P10275 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAOA P21397 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
SCHEMBL9717818 0.86 LMNA (0.50) LMNACYP2C9CYP1A2CHRM1TBXA2R
SCHEMBL10932897 0.77 LMNA (0.43) LMNACYP2C9CYP1A2CHRM1TBXA2R
SCHEMBL9387753 0.72 CFTR (0.41) LMNACYP2C9CYP1A2CHRM1TBXA2R
SCHEMBL11821639 0.70 SERPINE1 (0.40) LMNACYP2C9CYP1A2CHRM1TBXA2R
SCHEMBL11572071 0.69 SMN1; SMN2 (0.47) LMNACHRM1TBXA2RPDE4AADRA1A
SCHEMBL8726308 0.69 LMNA (0.41) LMNACYP1A2ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9717764 0.69 LMNA (0.38) LMNACYP2C9CYP1A2CHRM1TBXA2R
SCHEMBL7749002 0.69 LMNA (0.65) LMNACYP2C9CYP1A2GAANPSR1
SCHEMBL9717912 0.68 LMNA (0.41) LMNACYP2C9CYP1A2CHRM1TBXA2R
SCHEMBL12942245 0.67 NR1H2 (0.45) GAANPSR1ALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233376-B1 RADIOPAQUE THERMOPLASTIC RESIN-SILICONE NETWORK RESIN COMPOSITIONS AND MEDICAL-SURGICAL TUBINGS PREPARED THEREFROM Becton, Dickinson and Company (US) 1992-01-22 EP claimed
EP-0233376-A1 Radiopaque thermoplastic resin-silicone network resin compositions and medical-surgical tubings prepared therefrom Becton, Dickinson and Company (US) 1987-08-26 EP claimed
EP-0233376-B1 RADIOPAQUE THERMOPLASTIC RESIN-SILICONE NETWORK RESIN COMPOSITIONS AND MEDICAL-SURGICAL TUBINGS PREPARED THEREFROM Becton, Dickinson and Company (US) 1992-01-22 EP disclosed
EP-0233376-A1 Radiopaque thermoplastic resin-silicone network resin compositions and medical-surgical tubings prepared therefrom Becton, Dickinson and Company (US) 1987-08-26 EP disclosed
US-4557959-A SOFTENER GRADIENT BETWEEN WALLS REHAU PLASTIKS AG & CO. (DE) 1985-12-10 US disclosed
EP-0086512-A2 Laminated medical articles REHAU AG + Co (DE) 1983-08-24 EP disclosed