SCHEMBL10001207

SCHEMBL10001207

CCC(CC(=O)O)Cc1c(I)cc(I)c(N)c1I

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
CYP2C9 P11712 2/20 0.66
CHRM1 P11229 1/20 0.66
TBXA2R P21731 1/20 0.66
PDE4A P27815 1/20 0.66
ADRA1A P35348 1/20 0.66
CYP1A2 P05177 1/20 0.66
HIF1A Q16665 1/20 0.66
TDP1 Q9NUW8 1/20 0.46
SIRT5 Q9NXA8 1/20 0.33

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
Iopanoic Acid SCHEMBL38976 0.79 LMNA (1.00) LMNACYP2C9CHRM1TBXA2RPDE4A
Iopanoic Acid SCHEMBL29358912 0.79 LMNA (1.00) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL8336112 0.77 LMNA (0.78) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL18922031 0.77 LMNA (0.78) LMNACYP2C9CHRM1TBXA2RPDE4A
Iopanoic Acid SCHEMBL31609799 0.74 LMNA (0.74) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9002219 0.74 LMNA (0.66) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9002211 0.74 LMNA (0.66) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL29181466 0.74 LMNA (0.50) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL6247495 0.73 LMNA (0.55) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL9696076 0.70 LMNA (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed