SCHEMBL7593765

SCHEMBL7593765

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL9696073 0.72 LMNA (0.49) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9717764 0.68 LMNA (0.38) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9717761 0.67 LMNA (0.37) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL6251797 0.66 TSHR (0.31)
SCHEMBL8213482 0.64 LMNA (0.39) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9685057 0.63 TSHR (0.36)
SCHEMBL9387753 0.63 CFTR (0.41) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL26507122 0.62 MAPT (0.35)
SCHEMBL124763 0.61 TSHR (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL6012587 0.61 LMNA (0.40) LMNACYP2C9CHRM1TBXA2RPDE4A

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-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed