SCHEMBL25387603

SCHEMBL25387603

CC(C)(C)CCc1oc2cccc(Cl)c2c1C(=O)c1cc(I)c(O)c(I)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 9/20 0.73
▸ EYA3 Q99504 6/20 0.51
▸ CYP2C9 P11712 5/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ ABCB11 O95342 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ PGR P06401 2/20 0.49
▸ ADRA2A P08913 2/20 0.49
▸ TBXA2R P21731 2/20 0.49
▸ OPRM1 P35372 2/20 0.49
▸ SLC6A3 Q01959 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ BIRC5 O15392 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ DRD3 P35462 1/20 0.49

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
SCHEMBL25389780 0.89 TTR (0.57) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25392855 0.85 TTR (0.79) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25393151 0.83 TTR (0.55) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25389746 0.83 EYA3 (0.73) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25391537 0.80 TTR (0.57) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25390051 0.74 TTR (0.72) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25389481 0.74 TTR (0.53) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL6336631 0.73 TTR (0.78) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25389711 0.72 EYA3 (0.70) TTREYA3CYP2C9MEN1ABCB11
SCHEMBL25389393 0.70 SLC22A12 (0.57) TTREYA3CYP2C9MEN1ABCB11

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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