SCHEMBL26211318

SCHEMBL26211318

CCc1oc2c(O)c(O)c(O)c(O)c2c1C(=O)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 12/20 0.57
▸ TTR P02766 8/20 0.57
▸ EYA3 Q99504 3/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ EYA2 O00167 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ PLIN1 O60240 1/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALB P02768 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ NR3C1 P04150 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ PGR P06401 1/20 0.57
▸ POLB P06746 1/20 0.57

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
SCHEMBL26211216 0.90 SLC22A12 (0.53) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL26212284 0.89 TTR (0.47) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL22072519 0.86 TTR (0.46) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL24103648 0.82 SLC22A12 (0.50) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL25815944 0.82 SLC22A12 (0.56) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL22680531 0.80 SLC22A12 (0.47) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL22072520 0.80 SLC22A12 (0.55) SLC22A12TTREYA3CYP2C9ESR1
SCHEMBL24103345 0.79 SLC22A12 (0.53) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL22680479 0.78 TTR (0.43) SLC22A12TTREYA3CYP2C9CYP2C19
SCHEMBL30258574 0.77 SLC22A12 (0.71) SLC22A12TTREYA3CYP2C9CYP2C19

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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