SCHEMBL25392470

SCHEMBL25392470

CC(C)CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 4/20 0.73
▸ EYA3 Q99504 9/20 0.72
▸ SLC22A12 Q96S37 6/20 0.72
▸ CYP2C19 P33261 5/20 0.72
▸ CYP2C9 P11712 4/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ ABCB11 O95342 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ PGR P06401 2/20 0.72
▸ ADRA2A P08913 2/20 0.72
▸ TBXA2R P21731 2/20 0.72
▸ OPRM1 P35372 2/20 0.72
▸ SLC6A3 Q01959 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ PTPN1 P18031 2/20 0.72
▸ NR1H4 Q96RI1 2/20 0.72
▸ EYA2 O00167 1/20 0.72
▸ ABCC4 O15439 1/20 0.72
▸ PLIN1 O60240 1/20 0.72
▸ NR1I2 O75469 1/20 0.72

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
SCHEMBL25389973 0.87 EYA3 (0.85) TTREYA3SLC22A12CYP2C19CYP2C9
SCHEMBL1287644 0.85 TTR (1.00) TTREYA3SLC22A12CYP2C19CYP2C9
Benzbromarone SCHEMBL29361528 0.84 SLC22A12 (1.00) TTREYA3SLC22A12CYP2C19CYP2C9
Benzbromarone SCHEMBL48993 0.84 SLC22A12 (1.00) TTREYA3SLC22A12CYP2C19CYP2C9
Benzbromarone SCHEMBL19205474 0.84 SLC22A12 (1.00) TTREYA3SLC22A12CYP2C19CYP2C9
SCHEMBL6336472 0.83 TTR (0.73) TTREYA3SLC22A12CYP2C19CYP2C9
Benzbromarone SCHEMBL6761161 0.81 SLC22A12 (0.93) TTREYA3SLC22A12CYP2C19CYP2C9
SCHEMBL6336499 0.80 EYA3 (0.73) TTREYA3SLC22A12CYP2C19CYP2C9
SCHEMBL15698033 0.79 EYA3 (0.83) TTREYA3SLC22A12CYP2C19CYP2C9
SCHEMBL17539986 0.79 EYA3 (1.00) TTREYA3SLC22A12CYP2C19CYP2C9

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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