SCHEMBL21987072

SCHEMBL21987072

O=C(O)COc1ccc(C(=O)c2cc(Br)ccc2OCC(=O)O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.61
▸ MCL1 Q07820 1/20 0.47
▸ AKR1B1 P15121 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL21987039 0.85 PTGDR2 (0.71) PTGDR2AKR1B1TDP1
SCHEMBL21987043 0.82 PTGDR2 (0.80) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL21987062 0.81 PTGDR2 (0.59) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL5384687 0.78 TDP1 (0.72) PTGDR2MCL1TDP1TSHRPPARD
SCHEMBL3044855 0.78 PTGDR2 (0.79) PTGDR2AKR1B1TDP1POLBTSHR
SCHEMBL3203787 0.76 TDP1 (0.70) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL21987035 0.76 PTGDR2 (0.45) PTGDR2AKR1B1
SCHEMBL21987061 0.76 PTGDR2 (1.00) PTGDR2AKR1B1TDP1POLBTSHR
SCHEMBL8528987 0.75 PTGDR2 (0.55) PTGDR2MCL1TDP1TSHRL3MBTL1
SCHEMBL789387 0.74 PTGDR2 (1.00) PTGDR2AKR1B1TDP1POLBTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020109233-A2 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES FORSCHUNGSZENTRUM JÜLICH GMBH FACHBEREICH PATENTE (R-P) (DE) 2020-06-04 — — WO disclosed
EP-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 — — EP disclosed
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