SCHEMBL25388783

SCHEMBL25388783

O=C(c1cc(I)c(O)c(I)c1)c1c(CC2CCCCC2)oc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 7/20 0.67
▸ EYA3 Q99504 6/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ PGR P06401 2/20 0.67
▸ ADRA2A P08913 2/20 0.67
▸ TBXA2R P21731 2/20 0.67
▸ OPRM1 P35372 2/20 0.67
▸ SLC6A3 Q01959 2/20 0.67
▸ BIRC5 O15392 1/20 0.67
▸ HTR1A P08908 1/20 0.67
▸ DRD1 P21728 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ SLC6A2 P23975 1/20 0.67
▸ PDE4A P27815 1/20 0.67
▸ ADORA1 P30542 1/20 0.67
▸ DRD3 P35462 1/20 0.67
▸ HRH3 Q9Y5N1 1/20 0.67

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
SCHEMBL25390557 0.87 EYA3 (0.50) TTREYA3MEN1LMNAKMT2A
SCHEMBL25390567 0.87 EYA3 (0.66) TTREYA3MEN1LMNAKMT2A
SCHEMBL25390527 0.86 EYA3 (0.49) TTREYA3MEN1LMNAKMT2A
SCHEMBL25387894 0.86 EYA3 (0.49) TTREYA3MEN1LMNAKMT2A
SCHEMBL25390564 0.86 EYA3 (0.49) TTREYA3MEN1LMNAKMT2A
SCHEMBL25390580 0.86 TTR (0.54) TTREYA3MEN1LMNAKMT2A
SCHEMBL25388810 0.84 EYA3 (0.63) TTREYA3MEN1LMNAKMT2A
SCHEMBL25390351 0.83 CYP2C19 (0.56) TTREYA3MEN1LMNAKMT2A
Benziodarone SCHEMBL31326233 0.81 EYA3 (1.00) TTREYA3MEN1LMNAKMT2A
Benziodarone SCHEMBL308541 0.81 EYA3 (1.00) TTREYA3MEN1LMNAKMT2A

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
WO-2023149549-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 — — WO disclosed
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