SCHEMBL22680588

SCHEMBL22680588

Bc1c(OC(C)=O)c(O)c(B)c2c(C(=O)c3ccc(OC(C)=O)c(Br)c3)c(CC)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 12/20 0.43
▸ TTR P02766 5/20 0.39
▸ EYA3 Q99504 4/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NR1H4 Q96RI1 2/20 0.39
▸ EYA2 O00167 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ PLIN1 O60240 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ NR3C1 P04150 1/20 0.39

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
SCHEMBL22680772 0.92 SLC22A12 (0.42) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL24102976 0.81 CYP2C19 (0.46) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL24221837 0.79 CYP2C19 (0.47) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL25815357 0.79 SLC22A12 (0.52) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22680479 0.77 TTR (0.43) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22072519 0.74 TTR (0.46) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL25815944 0.72 SLC22A12 (0.56) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL24103558 0.71 SLC22A12 (0.57) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL22680778 0.71 CYP2C19 (0.60) SLC22A12TTREYA3CYP2C19CYP2C9
SCHEMBL24103345 0.70 SLC22A12 (0.53) 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
WO-2020232156-A1 COMPOUND FOR TREATING GOUT OR HYPERURICEMIA ARTHROSI THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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