SCHEMBL7752232

SCHEMBL7752232

CCC(C)OC(=O)CCc1oc2ccccc2c1C(=O)c1cc(I)c(OC(C)N(CC)CC)c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 7/20 0.51
▸ SIRT3 Q9NTG7 5/20 0.51
▸ THRA P10827 3/20 0.51
▸ THRB P10828 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ ABCB11 O95342 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ DRD1 P21728 2/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ SLC6A3 Q01959 2/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.51
▸ ABCB1 P08183 2/20 0.51
▸ KDM7A Q6ZMT4 2/20 0.51

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
SCHEMBL7750214 0.86 EYA3 (0.66) KDM5ASIRT3THRATHRBALDH1A1
SCHEMBL4588327 0.86 SIRT3 (0.68) KDM5ASIRT3THRATHRBALDH1A1
Hydrochloric Acid SCHEMBL10614888 0.85 ALDH1A1 (0.69) KDM5ASIRT3THRATHRBALDH1A1
SCHEMBL7079994 0.85 SIRT3 (0.73) KDM5ASIRT3THRATHRBALDH1A1
SCHEMBL13654920 0.77 EYA3 (0.67) KDM5ASIRT3THRATHRBALDH1A1
SCHEMBL3128930 0.76 SIRT3 (0.61) KDM5ASIRT3THRATHRBALDH1A1
Budiodarone SCHEMBL3123242 0.76 SIRT3 (0.70) KDM5ASIRT3THRATHRBALDH1A1
SCHEMBL3128944 0.76 SIRT3 (0.61) KDM5ASIRT3THRATHRBALDH1A1
Budiodarone SCHEMBL1946426 0.76 SIRT3 (0.70) KDM5ASIRT3THRATHRBALDH1A1
Budiodarone SCHEMBL29380098 0.76 SIRT3 (0.70) KDM5ASIRT3THRATHRBALDH1A1

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-6316487-B1 FOR THERAPY OF VENTRICULAR TACHYARRHYTHMIAS, ESPECIALLY IN PATIENTS WITH CONGESTIVE HEART FAILURE AND VENTRICULAR ARRHYTHMIAS AND SUPRAVENTRICULAR ARRHYTHMIAS, INCLUDING ATRIAL FIBRILLATION AND RE-ENTRANT TACHYARRHYTHMIAS ARYX THERAPEUTICS 2001-11-13 — — US disclosed
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