SCHEMBL22409978

SCHEMBL22409978

COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@@H](C)CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.70
TDP1 Q9NUW8 2/20 0.59
ACHE P22303 1/20 0.58
GSK3B P49841 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATR Q13535 1/20 0.51
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48
TUBB6 Q9BUF5 3/20 0.48

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
Schisandrin A SCHEMBL29354946 0.82 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
Schisandrin A SCHEMBL2404905 0.82 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
Schisandrin A SCHEMBL29402874 0.82 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
Schisandrin A SCHEMBL29351156 0.82 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
Schisandrin A SCHEMBL2703836 0.82 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
Deoxyschisandrin SCHEMBL29554677 0.82 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
SCHEMBL12924515 0.80 CYP3A4 (0.46) ATMACHEKDM4ECYP3A4
SCHEMBL7445824 0.76 ATM (0.63) ATMTDP1ACHEGSK3BMEN1
Gomisin K3 SCHEMBL31456894 0.74 ATM (1.00) ATMTDP1ACHEGSK3BMEN1
SCHEMBL5304084 0.74 ATM (0.81) ATMTDP1ACHEGSK3BMEN1

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
US-20200281236-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2020-09-10 US disclosed