SCHEMBL30089774

SCHEMBL30089774

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)[C@H](O)C[C@]2(C)OC(=O)/C=C/c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ELANE P08246 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ STAT3 P40763 7/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SNCA P37840 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
SCHEMBL29425860 0.85 ALDH1A1 (0.49) ALDH1A1TSHRPOLBCTDSP1STAT3
Harpagoside SCHEMBL893387 0.83 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29425763 0.80 ALDH1A1 (0.80) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29425968 0.79 ELANE (0.57) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL6847752 0.77 ALDH1A1 (0.88) ALDH1A1TSHRKDM4EGLACYP3A4
Phlomiol SCHEMBL9057941 0.75 POLB (0.55) POLBCTDSP1STAT3MEN1MAPT
Phloyoside I SCHEMBL29426051 0.75 POLB (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29426020 0.75 POLB (0.51) ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL31179905 0.75 POLB (0.51) ALDH1A1TSHRPOLBCTDSP1STAT3
SCHEMBL9695651 0.73 ALDH1A1 (0.52) ALDH1A1TSHRPOLBCTDSP1STAT3

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
WO-2024007532-A1 METHOD FOR DETERMINING DISSOLUTION RATES OF EIGHT REPRESENTATIVE COMPONENTS IN DAOCHI PILLS 河北省药品医疗器械检验研究院(河北省化妆品检验研究中心) 2024-01-11 — — WO disclosed
CN-115607646-A Composition for treating recurrent oral ulcer and chronic pharyngolaryngitis and preparation method thereof 青川县竹园镇中心卫生院 2023-01-17 — — CN disclosed
CN-115068574-A Compositions and methods for joint health 尤妮金公司 2022-09-20 — — CN disclosed
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