SCHEMBL7445824

SCHEMBL7445824

COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.63
TUBB4A P04350 4/20 0.59
TUBB P07437 4/20 0.59
TUBA3C P0DPH7 4/20 0.59
TUBA1B P68363 4/20 0.59
TUBA4A P68366 4/20 0.59
TUBB4B P68371 4/20 0.59
TUBB3 Q13509 4/20 0.59
TUBB2A Q13885 4/20 0.59
TUBB8 Q3ZCM7 4/20 0.59
TUBA3E Q6PEY2 4/20 0.59
TUBA1A Q71U36 4/20 0.59
TUBA1C Q9BQE3 4/20 0.59
TUBB6 Q9BUF5 4/20 0.59
TUBB2B Q9BVA1 4/20 0.59
TUBB1 Q9H4B7 4/20 0.59
ALOX5 P09917 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ACHE P22303 1/20 0.51
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7440035 0.89 TUBB4A (0.62) ATMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11356640 0.84 ATM (0.66) ATMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28950301 0.80 TUBB4A (0.57) ATMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6378725 0.80 TUBB4A (0.66) ATMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7437553 0.80 GSK3B (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13662944 0.79 ATM (0.59) ATMTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL59900 0.79 MAPT (0.62) CYP3A4MAPT
Schisandrin A SCHEMBL29354946 0.78 ATM (1.00) ATMTUBB4ATUBBTUBA3CTUBA1B
Schisandrin A SCHEMBL2404905 0.78 ATM (1.00) ATMTUBB4ATUBBTUBA3CTUBA1B
Schisandrin A SCHEMBL2703836 0.78 ATM (1.00) ATMTUBB4ATUBBTUBA3CTUBA1B

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
US-5321135-A Process for the preparation of polycyclic compounds using ferric perchlorate and acid trifluoroacidic TSUMURA & CO. (JP) 1994-06-14 US disclosed
EP-0594890-A1 Polycyclic compounds, their preparation and their use as phosphodiesterases inhibitors TSUMURA & CO. (JP) 1994-05-04 EP disclosed
EP-0511666-A1 Process for the preparation of polycyclic compounds TSUMURA & CO. (JP) 1992-11-04 EP disclosed