SCHEMBL6455798

SCHEMBL6455798

COc1cc(C(=O)c2cc(C)cc(C)c2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
TUBB4A P04350 5/20 0.64
TUBB P07437 5/20 0.64
TUBA3C P0DPH7 5/20 0.64
TUBA1B P68363 5/20 0.64
TUBA4A P68366 5/20 0.64
TUBB4B P68371 5/20 0.64
TUBB3 Q13509 5/20 0.64
TUBB2A Q13885 5/20 0.64
TUBB8 Q3ZCM7 5/20 0.64
TUBA3E Q6PEY2 5/20 0.64
TUBA1A Q71U36 5/20 0.64
TUBA1C Q9BQE3 5/20 0.64
TUBB6 Q9BUF5 5/20 0.64
TUBB2B Q9BVA1 5/20 0.64
TUBB1 Q9H4B7 5/20 0.64
ACHE P22303 1/20 0.59
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL4819729 0.90 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL27888195 0.88 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4818395 0.81 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6650962 0.80 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31369135 0.79 CYP1A2 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4824662 0.79 CYP1A2 (0.81) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6462743 0.79 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2450750 0.79 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9933825 0.79 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7937175 0.78 TPMT (0.65) KMT2AMAPTALDH1A1LMNA

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-6943194-B1 Synthesis of phenstatin and prodrugs thereof ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2005-09-13 US disclosed