SCHEMBL10428889

SCHEMBL10428889

COC(=O)C#CC(O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
EDNRA P25101 3/20 0.45
HPGD P15428 1/20 0.44
MAPK9 P45984 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10429040 0.82 KMT2A (0.42) KMT2AMEN1EDNRAHPGDMAPK9
SCHEMBL10429089 0.81 CYP3A4 (0.41) KMT2AMEN1EDNRAHPGDMAPK9
SCHEMBL10428927 0.81 EDNRA (0.55) KMT2AMEN1EDNRAHPGDALDH1A1
SCHEMBL805660 0.76 EDNRA (0.55) KMT2AMEN1EDNRAHPGDKDM4E
SCHEMBL14907918 0.74 MEN1 (0.51) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10428886 0.74 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1
SCHEMBL10428870 0.74 ALDH1A1 (0.41) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22404286 0.74 EDNRA (0.56) KMT2AMEN1EDNRAHPGDKDM4E
SCHEMBL10428878 0.73 MEN1 (0.61) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL10428914 0.73 TDP1 (0.40) KDM4EALDH1A1SMN1; SMN2L3MBTL1

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