SCHEMBL5724515

SCHEMBL5724515

CCOC(=O)CC(=O)NNc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ GAA P10253 10/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ MGAM O43451 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41

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
SCHEMBL5446847 0.88 TSHR (0.73) TSHRGAAL3MBTL1SMN1; SMN2TDP1
SCHEMBL13977766 0.86 GAA (0.68) TSHRGAAL3MBTL1SMN1; SMN2HTT
SCHEMBL7821728 0.84 TSHR (0.77) TSHRGAAL3MBTL1SMN1; SMN2TDP1
SCHEMBL15619393 0.82 PTGS2 (0.54) TSHRGAAL3MBTL1SMN1; SMN2HTT
SCHEMBL8585196 0.77 ALDH1A1 (0.53) TSHRGAAL3MBTL1SMN1; SMN2HTT
SCHEMBL11815924 0.76 POLB (0.60) TSHRGAAL3MBTL1SMN1; SMN2HTT
SCHEMBL11811386 0.76 TSHR (0.56) TSHRGAAL3MBTL1SMN1; SMN2TDP1
SCHEMBL14157352 0.74 CA1 (0.62) TSHRGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL381076 0.74 POLB (0.53) TSHRGAAL3MBTL1SMN1; SMN2TDP1
SCHEMBL27158903 0.73 L3MBTL1 (0.67) TSHRGAAL3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 — — EP disclosed
WO-2005002574-A1 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2005-01-13 — — WO disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 — — WO disclosed
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