SCHEMBL22680473

SCHEMBL22680473

CC(O)c1oc2cc(O)ccc2c1C(=O)c1ccc(O)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 3/20 0.60
▸ SLC22A12 Q96S37 7/20 0.51
▸ TTR P02766 2/20 0.51
▸ AKR1B1 P15121 2/20 0.41
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ MAP1LC3A Q9H492 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CDC25A P30304 1/20 0.37
▸ CDC25C P30307 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22680472 0.88 EYA3 (0.77) EYA3SLC22A12TTRAKR1B1ESR1
Poztinurad SCHEMBL15698085 0.75 EYA3 (1.00) EYA3SLC22A12TTRESR1CYP2C19
Poztinurad SCHEMBL29569243 0.75 EYA3 (1.00) EYA3SLC22A12TTRESR1CYP2C19
SCHEMBL25814853 0.74 SLC22A12 (0.58) EYA3SLC22A12TTRESR1ESR2
SCHEMBL25814802 0.72 EYA3 (0.81) EYA3SLC22A12TTRESR1CYP2C19
SCHEMBL25815062 0.72 EYA3 (0.56) EYA3SLC22A12TTRCA2CYP2C19
SCHEMBL20702027 0.70 EYA3 (0.72) EYA3SLC22A12TTRESR1CYP2C19
Pozdeutinurad SCHEMBL22032803 0.69 EYA3 (0.68) EYA3SLC22A12TTRESR1CYP2C19
Pozdeutinurad SCHEMBL30421663 0.68 EYA3 (0.67) EYA3SLC22A12TTRESR1CYP2C19
SCHEMBL29748630 0.68 ALDH1A1 (0.53) SLC22A12TTRESR1ESR2CA2

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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