SCHEMBL11248607

SCHEMBL11248607

COC(=O)C(=O)CC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
KDM4E B2RXH2 2/20 0.62
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KAT6A Q92794 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46

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
SCHEMBL25197137 0.87 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL7046987 0.87 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL2127920 0.82 KMT2A (0.66) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL9729410 0.82 KMT2A (0.76) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL6353463 0.81 KDM4E (0.42) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL10882250 0.81 KMT2A (0.64) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL9828028 0.80 MEN1 (0.62) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL27238307 0.79 GAA (0.49) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL3407396 0.78 MEN1 (0.65) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL25238149 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1KDM4EGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000382-B1 PYRIMIDO (4,5-C)PYRIDAZINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1982-10-06 EP disclosed
US-4315932-A AND SULFANILAMIDES BURROUGHS WELLCOME CO. (US) 1982-02-16 US disclosed
EP-0000541-B1 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. THE WELLCOME FOUNDATION LIMITED (GB) 1982-02-03 EP disclosed
US-4288365-A 1H-PYRIMIDO(4,5-C)-1,2-DIAZEPINES BURROUGHS WELLCOME CO. (US) 1981-09-08 US disclosed
US-4260758-A MICROBIOCIDES BURROUGHS WELLCOME CO. (US) 1981-04-07 US disclosed
US-4255427-A TREATMENT OF COCCIDIOSIS IN POULTRY BURROUGHS WELLCOME CO. (US) 1981-03-10 US disclosed
US-4237289-A MICROBIOCIDES BURROUGHS WELLCOME CO. (US) 1980-12-02 US disclosed
EP-0000382-A1 Pyrimido (4,5-c)pyridazines, compositions containing them and processes for their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1979-01-24 EP disclosed