SCHEMBL25389841

SCHEMBL25389841

CCC(C)(C)Cc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 8/20 0.74
▸ SLC22A12 Q96S37 7/20 0.74
▸ CYP2C19 P33261 6/20 0.74
▸ TTR P02766 4/20 0.74
▸ CYP2C9 P11712 3/20 0.74
▸ NR1H4 Q96RI1 3/20 0.74
▸ MEN1 O00255 2/20 0.74
▸ ABCB11 O95342 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ PGR P06401 2/20 0.74
▸ ADRA2A P08913 2/20 0.74
▸ TBXA2R P21731 2/20 0.74
▸ OPRM1 P35372 2/20 0.74
▸ SLC6A3 Q01959 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ EYA2 O00167 1/20 0.74
▸ ABCC4 O15439 1/20 0.74
▸ PLIN1 O60240 1/20 0.74
▸ NR1I2 O75469 1/20 0.74
▸ USP2 O75604 1/20 0.74

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
SCHEMBL25390795 0.87 TTR (0.74) EYA3SLC22A12CYP2C19TTRCYP2C9
Benzbromarone SCHEMBL29361528 0.86 SLC22A12 (1.00) EYA3SLC22A12CYP2C19TTRCYP2C9
Benzbromarone SCHEMBL48993 0.86 SLC22A12 (1.00) EYA3SLC22A12CYP2C19TTRCYP2C9
Benzbromarone SCHEMBL19205474 0.86 SLC22A12 (1.00) EYA3SLC22A12CYP2C19TTRCYP2C9
Benzbromarone SCHEMBL6761161 0.82 SLC22A12 (0.93) EYA3SLC22A12CYP2C19TTRCYP2C9
SCHEMBL1287644 0.81 TTR (1.00) EYA3SLC22A12CYP2C19TTRCYP2C9
SCHEMBL19235987 0.79 CYP2C19 (0.86) EYA3SLC22A12CYP2C19TTRCYP2C9
SCHEMBL6336499 0.79 EYA3 (0.73) EYA3SLC22A12CYP2C19TTRCYP2C9
SCHEMBL20376048 0.78 CYP2C19 (0.84) EYA3SLC22A12CYP2C19TTRCYP2C9
SCHEMBL25392470 0.78 TTR (0.73) EYA3SLC22A12CYP2C19TTRCYP2C9

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 2 patents. 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
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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