SCHEMBL7270855

SCHEMBL7270855

COC(=O)CCN1C(=O)CSc2ccc(CNC(=O)OC(C)(C)C)cc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL7278264 0.91 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7278244 0.81 CYP3A4 (0.54) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL7270859 0.78 POLB (0.41) MAPTALDH1A1TDP1POLBMAPK1
SCHEMBL7270181 0.74 POLB (0.46) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7280026 0.74 NPSR1 (0.62) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL26931958 0.73 NAMPT (0.47) GAAL3MBTL1
SCHEMBL26932141 0.73 NAMPT (0.47) POLBGAAL3MBTL1LMNA
SCHEMBL7270138 0.72 KMO (0.56) MAPTALDH1A1POLBMAPK1GAA
SCHEMBL9850703 0.71 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL15875389 0.70 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1

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
EP-0411751-A1 Renin inhibitory peptides Beecham Group p.l.c. (GB) 1991-02-06 EP disclosed