SCHEMBL9719904

SCHEMBL9719904

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.42
PDK1 Q15118 1/20 0.41

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
SCHEMBL7311711 0.89 KMT2A (0.44) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL28975450 0.88 MAPK1 (0.48) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL9719908 0.84 L3MBTL1 (0.46) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL9719895 0.80 ALDH1A1 (0.38) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL14032275 0.77 MAPK1 (0.46) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL24983762 0.77 L3MBTL1 (0.50) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL12499466 0.77 AKR1C3 (0.54) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL500044 0.77 AKR1C3 (0.54) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL7166547 0.77 AKR1C3 (0.54) MAPK1KMT2AMEN1KDM4EALDH1A1
SCHEMBL10411176 0.76 L3MBTL1 (0.49) MAPK1KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed