SCHEMBL23177655

SCHEMBL23177655

CC(C)(C)OC(=O)NCCOCCc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.47
▸ TTR P02766 3/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ UGT1A9 O60656 1/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ MT-CO2 P00403 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ CXCL8 P10145 1/20 0.47
▸ UGT1A6 P19224 1/20 0.47
▸ UGT1A1 P22309 1/20 0.47
▸ CXCR1 P25024 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ UGT1A7 Q9HAW7 1/20 0.47
▸ UGT1A10 Q9HAW8 1/20 0.47

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
SCHEMBL13299159 0.89 TTR (0.55) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL17001513 0.84 TTR (0.59) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL23158640 0.83 TTR (0.51) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL22859887 0.78 TTR (0.54) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL21400978 0.78 TTR (0.62) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL21401013 0.77 CA12 (0.52) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL21401015 0.76 TTR (0.49) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL21473650 0.76 TTR (0.65) PTGS2TTRPTGS1AKR1B10UGT1A9
SCHEMBL1820623 0.75 LMNA (0.61) TSHRGAAHIF1ALMNAKMT2A
SCHEMBL22859850 0.75 CA12 (0.53) PTGS2TTRPTGS1AKR1B10UGT1A9

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-2021060395-A1 SUSTAINED-RELEASE PHARMACEUTICAL COMPOSITION 持田製薬株式会社 2021-04-01 — — WO disclosed
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