SCHEMBL30527219

SCHEMBL30527219

[2H]c1c(OB(O)O)c([2H])c2oc(CC)c(C(=O)c3cc(Br)c(O)c(Br)c3)c2c1[2H]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 10/20 0.57
▸ TTR P02766 6/20 0.56
▸ EYA3 Q99504 4/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ PGR P06401 2/20 0.56
▸ ADRA2A P08913 2/20 0.56
▸ TBXA2R P21731 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ SLC6A3 Q01959 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ PTPN1 P18031 2/20 0.56
▸ NR1H4 Q96RI1 2/20 0.56
▸ EYA2 O00167 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ PLIN1 O60240 1/20 0.56
▸ NR1I2 O75469 1/20 0.56

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
SCHEMBL22658417 0.85 SLC22A12 (0.58) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22658416 0.85 SLC22A12 (0.65) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22658414 0.83 SLC22A12 (0.61) SLC22A12TTREYA3CYP2C19CYP2C9
Benzbromarone SCHEMBL22658405 0.81 SLC22A12 (0.67) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22658415 0.79 SLC22A12 (0.56) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22658406 0.79 CYP2C19 (0.51) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22658413 0.77 SLC22A12 (0.53) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22072730 0.74 SLC22A12 (0.88) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL1287521 0.73 SLC22A12 (1.00) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL1287526 0.73 SLC22A12 (1.00) SLC22A12TTREYA3CYP2C19CYP2C9

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
CN-116648445-A Methods for treating or preventing chronic kidney disease 安索治疗公司 2023-08-25 — — CN disclosed
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