SCHEMBL10429070

SCHEMBL10429070

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.50
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47
TUBB2A Q13885 3/20 0.47
TUBB8 Q3ZCM7 3/20 0.47
TUBA3E Q6PEY2 3/20 0.47
TUBA1A Q71U36 3/20 0.47
TUBA1C Q9BQE3 3/20 0.47
TUBB6 Q9BUF5 3/20 0.47
TUBB2B Q9BVA1 3/20 0.47
TUBB1 Q9H4B7 3/20 0.47

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 0.85 KMT2A (0.51) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428832 0.84 MEN1 (0.50) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428912 0.81 ALDH1A1 (0.44) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10622361 0.81 MEN1 (0.49) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL7461875 0.80 KMT2A (0.43) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428879 0.79 MEN1 (0.49) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428846 0.79 ABCG2 (0.46) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL9189943 0.79 VCP (0.54) ALDH1A1KMT2AMEN1TUBB4ATUBB
SCHEMBL5691140 0.79 HTT (0.43) TPMTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10428906 0.78 MAPK1 (0.47) TPMTALDH1A1KMT2AMEN1KDM4E

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
EP-0282898-A2 Propiolophenone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-09-21 EP claimed
US-4929741-A ANTISECRETORY AGENTS, GASTRIC JUICE, ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-05-29 US disclosed
EP-0282898-A2 Propiolophenone derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-09-21 EP disclosed