SCHEMBL11539399

SCHEMBL11539399

CC(=O)Nc1cccc(OCc2ccccc2)c1CCOC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.66
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 2/20 0.46
PPIA P62937 2/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SGMS2 Q8NHU3 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
SCHEMBL8924076 0.80 BRD4 (1.00) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL1142084 0.78 BRD4 (0.78) BRD4KMT2AMEN1CYP19A1PPIA
SCHEMBL8676619 0.76 BRD4 (0.62) BRD4KMT2AMEN1CYP19A1LMNA
SCHEMBL28757819 0.74 ALDH1A1 (0.49) BRD4ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL8047911 0.73 BRD4 (0.51) BRD4PPIAKDM4ETDP1L3MBTL1
SCHEMBL9687384 0.73 BRD4 (0.47) BRD4ALDH1A1LMNAKDM4EMAPT
SCHEMBL8616388 0.72 ALDH1A1 (0.49) BRD4ALDH1A1LMNAKDM4EHPGD
SCHEMBL13192251 0.72 BRD4 (0.76) BRD4KMT2AMEN1CYP19A1ALDH1A1
SCHEMBL5736091 0.71 RAD52 (0.46) BRD4ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL7646955 0.71 BRD4 (0.74) BRD4KMT2AMEN1CYP19A1PPIA

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed