SCHEMBL29907230

SCHEMBL29907230

O=C(O)COc1ccccc1N(CC(=O)O)CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.78
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GLA P06280 1/20 0.54
PTGDR2 Q9Y5Y4 7/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.48
CD69 Q07108 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 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
SCHEMBL305300 1.00 TDP1 (0.78) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL17640371 0.89 TDP1 (0.71) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL232103 0.88 TDP1 (1.00) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL31185081 0.88 TDP1 (1.00) TDP1L3MBTL1POLBSMN1; SMN2GLA
Ethane SCHEMBL28264318 0.85 TDP1 (0.93) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL28908699 0.81 TDP1 (0.53) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL30167509 0.81 PKM (0.59) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL17640377 0.81 TDP1 (0.85) TDP1L3MBTL1POLBSMN1; SMN2GLA
SCHEMBL3651761 0.81 TDP1 (0.70) TDP1L3MBTL1POLBSMN1; SMN2
SCHEMBL13560703 0.80 TDP1 (0.82) TDP1POLBSMN1; SMN2PTGDR2KDM4E

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
CN-109690317-B Compositions and methods for measuring ion channel activity in cells 生命科技股份有限公司 2023-05-02 CN disclosed
EP-4097477-A1 UV EXCITABLE POLYFLUORENE BASED CONJUGATES AND THEIR USE IN METHODS OF ANALYTE DETECTION Aat Bioquest, Inc. (US) 2022-12-07 EP disclosed
CN-115280147-A UV excitable polyfluorene-based conjugates and their use in analyte detection methods 阿特生物探索公司 2022-11-01 CN disclosed