SCHEMBL7750214

SCHEMBL7750214

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 5/20 0.66
▸ TTR P02766 2/20 0.64
▸ ABCB11 O95342 2/20 0.64
▸ ADRA2A P08913 2/20 0.64
▸ DRD1 P21728 2/20 0.64
▸ SLC6A2 P23975 2/20 0.64
▸ OPRM1 P35372 2/20 0.64
▸ DRD3 P35462 2/20 0.64
▸ SLC6A3 Q01959 2/20 0.64
▸ HRH3 Q9Y5N1 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ BIRC5 O15392 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ HTR1A P08908 1/20 0.64
▸ TBXA2R P21731 1/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ PDE4A P27815 1/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ KMT2A Q03164 1/20 0.64

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
SCHEMBL13654920 0.90 EYA3 (0.67) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL7752232 0.86 KDM5A (0.51) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL7101769 0.85 EYA3 (0.71) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL7079994 0.85 SIRT3 (0.73) ABCB11ADRA2ADRD1SLC6A2OPRM1
SCHEMBL7752224 0.82 EYA3 (0.74) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25389973 0.81 EYA3 (0.85) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL13522305 0.80 EYA3 (0.53) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL13522210 0.80 EYA3 (0.69) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL17539986 0.80 EYA3 (1.00) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL14625580 0.80 CYP2C19 (0.67) EYA3TTRABCB11ADRA2ADRD1

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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