SCHEMBL21987043

SCHEMBL21987043

O=C(O)COc1ccc(C(=O)c2cc(Br)ccc2OCC(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 14/20 0.80
▸ PTGES O14684 1/20 0.53
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGDR Q13258 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
SCHEMBL21987061 0.89 PTGDR2 (1.00) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL21987094 0.85 PTGDR2 (0.74) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL9217624 0.82 PTGDR2 (0.69) PTGDR2
SCHEMBL14419539 0.82 PTGDR2 (0.69) PTGDR2TSHRTDP1
SCHEMBL3044855 0.82 PTGDR2 (0.79) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL21987072 0.82 PTGDR2 (0.61) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL789387 0.78 PTGDR2 (1.00) PTGDR2POLBTSHRCTDSP1TDP1
SCHEMBL653251 0.77 ALOX15 (0.65) POLBTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL16035699 0.77 ALOX15 (0.65) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL21987093 0.76 PTGDR2 (0.56) PTGDR2POLBTSHRCTDSP1TDP1

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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