SCHEMBL28355307

SCHEMBL28355307

O=C(OB(O)c1cccc([N+](=O)[O-])c1)C(O)C(O)C(=O)OB(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DDX3X O00571 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GAA P10253 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL13857813 0.84 TP53 (0.50) TSHRLMNACES2CES1TP53
SCHEMBL6500392 0.77 TSHR (0.52) TSHRLMNACES2CES1TP53
SCHEMBL27995557 0.77 TSHR (0.52) TSHRLMNACES2CES1TP53
SCHEMBL28022638 0.77 TSHR (0.52) TSHRLMNACES2CES1TP53
Cadaverine Tartrate SCHEMBL28355308 0.77 TP53 (0.49) TSHRLMNACES2CES1TP53
SCHEMBL127723 0.74 TSHR (0.61) TSHRLMNACES2CES1TP53
SCHEMBL29758194 0.74 TSHR (0.61) TSHRLMNACES2CES1TP53
SCHEMBL8000291 0.74 TSHR (0.47) TSHRLMNACES2CES1TP53
Hydrochloric Acid SCHEMBL28382242 0.73 TSHR (0.59) TSHRLMNACES2CES1TP53
SCHEMBL16812678 0.72 TSHR (0.57) TSHRLMNACES2CES1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115632164-A Additive for positive electrolyte, electrolyte containing additive and application of additive 哈尔滨工业大学 2023-01-20 CN claimed
CN-111154273-A Flexible high-temperature-resistant wire and cable material and processing method thereof 何先鹏 2020-05-15 CN claimed
CN-110746885-A Sound-insulation weather-resistant waterproof coating and preparation method thereof 湖南辰砾新材料有限公司 2020-02-04 CN claimed
CN-115632164-A Additive for positive electrolyte, electrolyte containing additive and application of additive 哈尔滨工业大学 2023-01-20 CN disclosed
CN-111154273-A Flexible high-temperature-resistant wire and cable material and processing method thereof 何先鹏 2020-05-15 CN disclosed
CN-110746885-A Sound-insulation weather-resistant waterproof coating and preparation method thereof 湖南辰砾新材料有限公司 2020-02-04 CN disclosed