SCHEMBL30004407

SCHEMBL30004407

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1Cc1nccc2c1[nH]c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ STAT3 P40763 12/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ELANE P08246 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
Cordifoline SCHEMBL29517362 0.80 POLB (0.40) HTR1APOLBCTDSP1STAT3MEN1
Strictosidine SCHEMBL29456742 0.77 HTR1A (0.56) HTR1APOLBCTDSP1STAT3ACHE
Strictosidine SCHEMBL8322946 0.77 HTR1A (0.56) HTR1APOLBCTDSP1STAT3ACHE
Strictosidine SCHEMBL29456822 0.77 HTR1A (0.56) HTR1APOLBCTDSP1STAT3ACHE
SCHEMBL28663748 0.76 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL31006406 0.76 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
Secologanin SCHEMBL431171 0.75 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
Secologanin SCHEMBL21358657 0.74 POLB (0.43) HTR1APOLBCTDSP1STAT3ACHE
SCHEMBL27168688 0.74 HTR1A (0.49) HTR1APOLBCTDSP1STAT3ACHE
SCHEMBL27168713 0.74 HTR1A (0.49) HTR1APOLBCTDSP1STAT3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115120295-A Multiple inflation type intravascular medical device W.L.戈尔及同仁股份有限公司 2022-09-30 — — CN disclosed
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