SCHEMBL26211199

SCHEMBL26211199

COc1c(Br)cc(C(=O)c2c(C(C)Br)oc3c(O)c(O)c(O)c(O)c23)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.41
▸ TPMT P51580 1/20 0.38
▸ EYA3 Q99504 3/20 0.37
▸ SLC22A12 Q96S37 8/20 0.35
▸ TSHR P16473 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL24266787 0.88 EYA3 (0.36) CYP2C19EYA3SLC22A12TSHRTHRA
SCHEMBL24267353 0.79 ALDH1A1 (0.39) CYP2C19EYA3SLC22A12TSHRHTT
SCHEMBL24266348 0.79 KDR (0.32) EYA3THRATHRB
SCHEMBL22072500 0.79 EYA3 (0.58) CYP2C19EYA3SLC22A12TSHRTHRB
SCHEMBL22072522 0.76 EYA3 (0.45) CYP2C19EYA3SLC22A12TSHRTHRB
SCHEMBL25719653 0.76 EYA3 (0.34) EYA3SLC22A12THRATHRB
SCHEMBL24267018 0.74 EYA3 (0.36) CYP2C19EYA3SLC22A12TTR
SCHEMBL24103740 0.71 CYP2C19 (0.32) CYP2C19EYA3
SCHEMBL26211957 0.68 EYA3 (0.42) CYP2C19EYA3SLC22A12TSHRTHRB
SCHEMBL22072519 0.68 TTR (0.46) CYP2C19EYA3SLC22A12TSHRTHRB

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
EP-3957629-B1 PROCESS FOR MAKING DEUTERATED HYDROXY-BENZBROMARONE AND INTERMEDIATES THEREOF ARTHROSI THERAPEUTICS INC (US) 2023-09-06 — — EP disclosed
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