SCHEMBL21987061

SCHEMBL21987061

O=C(O)COc1ccc(Br)cc1C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 14/20 1.00
▸ POLB P06746 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ TSHR P16473 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AKR1B1 P15121 1/20 0.50

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
SCHEMBL21987043 0.89 PTGDR2 (0.80) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL21987094 0.85 PTGDR2 (0.74) PTGDR2POLBMAPTTSHRCTDSP1
SCHEMBL1115128 0.85 PTGDR2 (0.73) PTGDR2POLBMAPTMAPK1
SCHEMBL3044855 0.84 PTGDR2 (0.79) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL21987039 0.83 PTGDR2 (0.71) PTGDR2MAPTTDP1MAPK1AKR1B1
SCHEMBL11642345 0.83 PTGDR2 (0.71) PTGDR2POLBMAPTMAPK1
SCHEMBL8398940 0.82 PTGDR2 (0.70) PTGDR2MAPTTSHRTDP1
SCHEMBL14419539 0.82 PTGDR2 (0.69) PTGDR2MAPTTSHRTDP1AKR1B1
SCHEMBL9217624 0.82 PTGDR2 (0.69) PTGDR2MAPTMAPK1
SCHEMBL14419544 0.81 PTGDR2 (0.68) PTGDR2MAPTTSHRTDP1

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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