SCHEMBL28516722

SCHEMBL28516722

O=c1c(OCc2ccccc2)c(-c2ccc(OCc3ccccc3)c(O)c2)oc2cccc(O)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
POLH Q9Y253 4/20 0.50
ACE2 Q9BYF1 2/20 0.50

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
SCHEMBL118391 0.90 ADORA3 (0.61) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29410971 0.90 ADORA3 (0.61) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL169717 0.88 KDM4E (0.52) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7940149 0.87 PPARG (0.62) PPARGACE2ABCB1ADORA3ABCC1
SCHEMBL1421821 0.86 PPARG (0.50) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1421560 0.84 ACE2 (0.69) PPARGPOLHACE2ABCB1ADORA3
SCHEMBL117674 0.83 MAOB (0.50) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6551601 0.83 POLH (0.62) PPARGBCHEACHEPOLHABCB1
SCHEMBL15228450 0.81 ACE2 (0.47) PPARGTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31031148 0.81 ADORA3 (0.58) PPARGPOLHACE2ABCB1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300191-B Isorhamnetin biotin probe and synthetic method and application thereof 上海交通大学 2022-03-15 CN disclosed
CN-112300191-A Isorhamnetin biotin probe and synthetic method and application thereof 上海交通大学 2021-02-02 CN disclosed