SCHEMBL30968700

SCHEMBL30968700

Cc1ccc(-n2c(-c3ccc(O)cc3O)n[nH]c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 15/20 0.64
HSP90AB1 P08238 9/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
HSP90B1 P14625 1/20 0.44
TRAP1 Q12931 1/20 0.44
ESR1 P03372 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8930364 0.83 HPGD (0.65) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL5006001 0.76 HSP90AB1 (0.71) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL14344600 0.75 KDM4E (0.69) HSP90AA1KDM4EMAPTALDH1A1LMNA
SCHEMBL12180147 0.75 HSP90AA1 (0.78) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1
SCHEMBL13983078 0.74 POLB (0.61) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL4939682 0.74 ESR1 (0.48) HSP90AA1KDM4EMAPTALDH1A1LMNA
SCHEMBL8931049 0.73 HSP90AA1 (0.58) HSP90AA1HSP90AB1KDM4EALDH1A1ESR1
SCHEMBL12045736 0.73 HSP90AA1 (0.72) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1
SCHEMBL8931044 0.73 HSP90AA1 (0.84) HSP90AA1HSP90AB1KDM4EMAPTALDH1A1
SCHEMBL8930502 0.72 HPGD (0.61) HSP90AA1KDM4EMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118356493-A Application of PDK1 protein or coding gene thereof as target spot in preparation of medicines for treating systemic lupus erythematosus 中南大学湘雅二医院 2024-07-19 CN claimed
CN-118045188-A Application of PDK1 as target in preventing or treating diabetes 中南大学湘雅二医院 2024-05-17 CN claimed
CN-119732939-A Use of Etalocib in preparing medicine for resisting gram positive bacteria infection 华中科技大学协和深圳医院 2025-04-01 CN disclosed
CN-118045188-A Application of PDK1 as target in preventing or treating diabetes 中南大学湘雅二医院 2024-05-17 CN disclosed