SCHEMBL10428906

SCHEMBL10428906

COc1cc(C(=O)C#CC(C)O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44

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
SCHEMBL177364 0.81 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL5692460 0.79 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10429070 0.78 TPMT (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL10428832 0.77 MEN1 (0.50) MAPK1ALDH1A1ALOX12KMT2AMEN1
SCHEMBL10428879 0.75 MEN1 (0.49) MAPK1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428846 0.75 ABCG2 (0.46) ALDH1A1KMT2AMEN1KDM4ETUBB4A
SCHEMBL10622361 0.74 MEN1 (0.49) MAPK1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428912 0.74 ALDH1A1 (0.44) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL9832697 0.74 PDE4A (0.56) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4797626 0.74 TUBB4A (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E

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-4929741-A ANTISECRETORY AGENTS, GASTRIC JUICE, ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-05-29 US disclosed